(1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)

C136H132F14N18O24 — CID 162003705

IUPAC(1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)
SMILESCc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H](C3)[C@H]3C[C@@H]2C(F)(F)C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4C[C@@H](C[C@@H]4C)[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4C[C@@H]([C@H](F)[C@H]4F)[C@@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@H]2C3)c(F)c1
InChIInChI=1S/2C23H23F2N3O4.2C23H24FN3O4.2C22H19F4N3O4/c1-10-3-15(24)13(16(25)4-10)7-26-22(31)14-8-27-9-18-12-5-11(2)17(6-12)28(18)23(32)19(27)21(30)20(14)29;1-11-6-16(24)14(17(25)7-11)8-26-22(31)15-9-27-10-18-12-2-4-13(5-3-12)28(18)23(32)19(27)21(30)20(15)29;2*1-12-2-3-14(17(24)8-12)9-25-22(30)16-10-26-11-18-13-4-6-15(7-5-13)27(18)23(31)19(26)21(29)20(16)28;1-9-2-13(23)11(14(24)3-9)6-27-20(32)12-7-28-8-15-10-4-16(22(25,26)5-10)29(15)21(33)17(28)19(31)18(12)30;1-8-2-12(23)10(13(24)3-8)5-27-21(32)11-6-28-7-15-9-4-14(17(26)16(9)25)29(15)22(33)18(28)20(31)19(11)30/h3-4,8,11-12,17-18,30H,5-7,9H2,1-2H3,(H,26,31);6-7,9,12-13,18,30H,2-5,8,10H2,1H3,(H,26,31);2*2-3,8,10,13,15,18,29H,4-7,9,11H2,1H3,(H,25,30);2-3,7,10,15-16,31H,4-6,8H2,1H3,(H,27,32);2-3,6,9,14-17,31H,4-5,7H2,1H3,(H,27,32)/t11-,12+,17+,18-;12?,13?,18-;2*13?,15?,18-;10-,15-,16+;9-,14-,15+,16+,17+/m001101/s1
InChIKeyYSNWKBXEHSAEMW-XBJQQGFDSA-N
MW2668.63 g/mol
LogP13.74
Rot. Bonds18

About (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)

(1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide) (PubChem CID 162003705) has the molecular formula C136H132F14N18O24 and a molecular weight of 2668.63 g/mol. Its IUPAC name is (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide).

Molecular Properties

Compound Name(1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)
PubChem CID162003705
Molecular FormulaC136H132F14N18O24
Molecular Weight2668.63 g/mol
Exact Mass2666.94
IUPAC Name(1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)
SMILESCc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H](C3)[C@H]3C[C@@H]2C(F)(F)C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4C[C@@H](C[C@@H]4C)[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4C[C@@H]([C@H](F)[C@H]4F)[C@@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@H]2C3)c(F)c1
InChIInChI=1S/2C23H23F2N3O4.2C23H24FN3O4.2C22H19F4N3O4/c1-10-3-15(24)13(16(25)4-10)7-26-22(31)14-8-27-9-18-12-5-11(2)17(6-12)28(18)23(32)19(27)21(30)20(14)29;1-11-6-16(24)14(17(25)7-11)8-26-22(31)15-9-27-10-18-12-2-4-13(5-3-12)28(18)23(32)19(27)21(30)20(15)29;2*1-12-2-3-14(17(24)8-12)9-25-22(30)16-10-26-11-18-13-4-6-15(7-5-13)27(18)23(31)19(26)21(29)20(16)28;1-9-2-13(23)11(14(24)3-9)6-27-20(32)12-7-28-8-15-10-4-16(22(25,26)5-10)29(15)21(33)17(28)19(31)18(12)30;1-8-2-12(23)10(13(24)3-8)5-27-21(32)11-6-28-7-15-9-4-14(17(26)16(9)25)29(15)22(33)18(28)20(31)19(11)30/h3-4,8,11-12,17-18,30H,5-7,9H2,1-2H3,(H,26,31);6-7,9,12-13,18,30H,2-5,8,10H2,1H3,(H,26,31);2*2-3,8,10,13,15,18,29H,4-7,9,11H2,1H3,(H,25,30);2-3,7,10,15-16,31H,4-6,8H2,1H3,(H,27,32);2-3,6,9,14-17,31H,4-5,7H2,1H3,(H,27,32)/t11-,12+,17+,18-;12?,13?,18-;2*13?,15?,18-;10-,15-,16+;9-,14-,15+,16+,17+/m001101/s1
InChIKeyYSNWKBXEHSAEMW-XBJQQGFDSA-N
XLogP13.74
TPSA549.84 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002668.63
LogP ≤ 513.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)?
The IUPAC name of (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide) (CID 162003705) is (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide).
What is the SMILES notation for (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)?
The canonical SMILES for (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide) is Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H](C3)[C@H]3C[C@@H]2C(F)(F)C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4C[C@@H](C[C@@H]4C)[C@@H]2C3)c(F)c1.Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2[C@@H]4C[C@@H]([C@H](F)[C@H]4F)[C@@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@H]2C3)c(F)c1.Cc1ccc(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2C4CCC(CC4)[C@H]2C3)c(F)c1.
What is the InChIKey of (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)?
The InChIKey is YSNWKBXEHSAEMW-XBJQQGFDSA-N. The full InChI is InChI=1S/2C23H23F2N3O4.2C23H24FN3O4.2C22H19F4N3O4/c1-10-3-15(24)13(16(25)4-10)7-26-22(31)14-8-27-9-18-12-5-11(2)17(6-12)28(18)23(32)19(27)21(30)20(14)29;1-11-6-16(24)14(17(25)7-11)8-26-22(31)15-9-27-10-18-12-2-4-13(5-3-12)28(18)23(32)19(27)21(30)20(15)29;2*1-12-2-3-14(17(24)8-12)9-25-22(30)16-10-26-11-18-13-4-6-15(7-5-13)27(18)23(31)19(26)21(29)20(16)28;1-9-2-13(23)11(14(24)3-9)6-27-20(32)12-7-28-8-15-10-4-16(22(25,26)5-10)29(15)21(33)17(28)19(31)18(12)30;1-8-2-12(23)10(13(24)3-8)5-27-21(32)11-6-28-7-15-9-4-14(17(26)16(9)25)29(15)22(33)18(28)20(31)19(11)30/h3-4,8,11-12,17-18,30H,5-7,9H2,1-2H3,(H,26,31);6-7,9,12-13,18,30H,2-5,8,10H2,1H3,(H,26,31);2*2-3,8,10,13,15,18,29H,4-7,9,11H2,1H3,(H,25,30);2-3,7,10,15-16,31H,4-6,8H2,1H3,(H,27,32);2-3,6,9,14-17,31H,4-5,7H2,1H3,(H,27,32)/t11-,12+,17+,18-;12?,13?,18-;2*13?,15?,18-;10-,15-,16+;9-,14-,15+,16+,17+/m001101/s1.
What are the key properties of (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide)?
(1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide) has a molecular weight of 2668.63 g/mol, XLogP of 13.74, 18 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,12S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-14,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(1R,11R,12R,13S,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-13,14-difluoro-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;(11R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide;(1R,11R,12R,14S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-5-hydroxy-14-methyl-3,6-dioxo-2,9-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,7-diene-7-carboxamide;bis((11S)-N-[(2-fluoro-4-methylphenyl)methyl]-5-hydroxy-3,6-dioxo-2,9-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,7-diene-7-carboxamide) is sourced from PubChem (CID 162003705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).