N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne

C278H167F12N17O23P2S6 — CID 159539088

About N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne

N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne (PubChem CID 159539088) has the molecular formula C278H167F12N17O23P2S6 and a molecular weight of 4595.82 g/mol. Its IUPAC name is N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne.

Molecular Properties

• Compound Name: N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne
• PubChem CID: 159539088
• Molecular Formula: C278H167F12N17O23P2S6
• Molecular Weight: 4595.82 g/mol
• Exact Mass: 4592.00
• IUPAC Name: N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne
• SMILES: C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COC(CN)OC.COC(CNC(=O)[C@H]1C[C@H]2[C@@H](C)SC(NC(=O)c3ccccc3)=N[C@@]2(c2ccc(F)cc2F)CO1)OC.C[C@H]1SC(N)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](C(=O)NCC=O)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](C(=O)O)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](CO)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@@H]12.PP
• InChI: InChI=1S/C36H6.C35H4.C34H2.C33H4.C26H29F2N3O5S.C24H23F2N3O4S.C24H21F2N3O3S.C22H20F2N2O4S.C22H22F2N2O3S.C17H17F2N3O2S.C4H11NO2.CH4.H4P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-15-19-12-21(24(33)29-13-22(34-2)35-3)36-14-26(19,18-10-9-17(27)11-20(18)28)31-25(37-15)30-23(32)16-7-5-4-6-8-16;1-14-18-12-20(22(32)27-9-10-30)33-13-24(18,17-8-7-16(25)11-19(17)26)29-23(34-14)28-21(31)15-5-3-2-4-6-15;1-14-18-12-20(22-27-9-10-31-22)32-13-24(18,17-8-7-16(25)11-19(17)26)29-23(33-14)28-21(30)15-5-3-2-4-6-15;1-12-16-10-18(20(28)29)30-11-22(16,15-8-7-14(23)9-17(15)24)26-21(31-12)25-19(27)13-5-3-2-4-6-13;1-13-18-10-16(11-27)29-12-22(18,17-8-7-15(23)9-19(17)24)26-21(30-13)25-20(28)14-5-3-2-4-6-14;1-9-12-7-14(15-21-4-5-23-15)24-8-17(12,22-16(20)25-9)11-3-2-10(18)6-13(11)19;1-6-4(3-5)7-2;;1-2/h1-2H3;1H,2H3;1-2H;1H,2H3;4-11,15,19,21-22H,12-14H2,1-3H3,(H,29,33)(H,30,31,32);2-8,10-11,14,18,20H,9,12-13H2,1H3,(H,27,32)(H,28,29,31);2-11,14,18,20H,12-13H2,1H3,(H,28,29,30);2-9,12,16,18H,10-11H2,1H3,(H,28,29)(H,25,26,27);2-9,13,16,18,27H,10-12H2,1H3,(H,25,26,28);2-6,9,12,14H,7-8H2,1H3,(H2,20,22);4H,3,5H2,1-2H3;1H4;1-2H2/t;;;;15-,19+,21-,26-;2*14-,18+,20-,24-;12-,16+,18-,22-;13-,16-,18+,22-;9-,12+,14-,17-;;;/m....111111.../s1
• InChIKey: MDYTUJMZTZFLGF-VCUXQMEXSA-N
• XLogP: 24.92
• TPSA: 548.86 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 338
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4595.82
LogP ≤ 5	24.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

The IUPAC name of N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne (CID 159539088) is N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne.

What is the SMILES notation for N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

The canonical SMILES for N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne is C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COC(CN)OC.COC(CNC(=O)[C@H]1C[C@H]2[C@@H](C)SC(NC(=O)c3ccccc3)=N[C@@]2(c2ccc(F)cc2F)CO1)OC.C[C@H]1SC(N)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](C(=O)NCC=O)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](C(=O)O)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](CO)C[C@@H]12.C[C@H]1SC(NC(=O)c2ccccc2)=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@@H]12.PP.

What is the InChIKey of N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

The InChIKey is MDYTUJMZTZFLGF-VCUXQMEXSA-N. The full InChI is InChI=1S/C36H6.C35H4.C34H2.C33H4.C26H29F2N3O5S.C24H23F2N3O4S.C24H21F2N3O3S.C22H20F2N2O4S.C22H22F2N2O3S.C17H17F2N3O2S.C4H11NO2.CH4.H4P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-15-19-12-21(24(33)29-13-22(34-2)35-3)36-14-26(19,18-10-9-17(27)11-20(18)28)31-25(37-15)30-23(32)16-7-5-4-6-8-16;1-14-18-12-20(22(32)27-9-10-30)33-13-24(18,17-8-7-16(25)11-19(17)26)29-23(34-14)28-21(31)15-5-3-2-4-6-15;1-14-18-12-20(22-27-9-10-31-22)32-13-24(18,17-8-7-16(25)11-19(17)26)29-23(33-14)28-21(30)15-5-3-2-4-6-15;1-12-16-10-18(20(28)29)30-11-22(16,15-8-7-14(23)9-17(15)24)26-21(31-12)25-19(27)13-5-3-2-4-6-13;1-13-18-10-16(11-27)29-12-22(18,17-8-7-15(23)9-19(17)24)26-21(30-13)25-20(28)14-5-3-2-4-6-14;1-9-12-7-14(15-21-4-5-23-15)24-8-17(12,22-16(20)25-9)11-3-2-10(18)6-13(11)19;1-6-4(3-5)7-2;;1-2/h1-2H3;1H,2H3;1-2H;1H,2H3;4-11,15,19,21-22H,12-14H2,1-3H3,(H,29,33)(H,30,31,32);2-8,10-11,14,18,20H,9,12-13H2,1H3,(H,27,32)(H,28,29,31);2-11,14,18,20H,12-13H2,1H3,(H,28,29,30);2-9,12,16,18H,10-11H2,1H3,(H,28,29)(H,25,26,27);2-9,13,16,18,27H,10-12H2,1H3,(H,25,26,28);2-6,9,12,14H,7-8H2,1H3,(H2,20,22);4H,3,5H2,1-2H3;1H4;1-2H2/t;;;;15-,19+,21-,26-;2*14-,18+,20-,24-;12-,16+,18-,22-;13-,16-,18+,22-;9-,12+,14-,17-;;;/m....111111.../s1.

What are the key properties of N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne has a molecular weight of 4595.82 g/mol, XLogP of 24.92, 26 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(hydroxymethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4R,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-N-(2,2-dimethoxyethyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxylic acid;(4R,4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4-methyl-N-(2-oxoethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carboxamide;2,2-dimethoxyethanamine;hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne;methane;pentatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;phosphanylphosphane;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne is sourced from PubChem (CID 159539088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).