N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide

C124H141N29O25S7 — CID 159711421

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide
SMILESC=S(C)(=O)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccnn2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2nccn2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(CC2CCCCC2)c1.CCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.NC1=NS(=O)(=O)Cc2cccc(OCC3(NC(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C25H32N4O4S.2C20H21N7O4S.C20H24N4O5S2.C20H24N4O4S.C19H19N3O4S/c1-25(2,16-33-21-10-6-9-19-15-34(31,32)29-23(26)22(19)21)28-24(30)18-11-12-27-20(14-18)13-17-7-4-3-5-8-17;1-20(2,24-19(28)13-6-7-22-16(10-13)27-9-8-23-26-27)12-31-15-5-3-4-14-11-32(29,30)25-18(21)17(14)15;1-20(2,25-19(28)13-6-7-22-16(10-13)27-23-8-9-24-27)12-31-15-5-3-4-14-11-32(29,30)26-18(21)17(14)15;1-20(2,23-19(25)13-8-9-22-16(10-13)30(3,4)26)12-29-15-7-5-6-14-11-31(27,28)24-18(21)17(14)15;1-4-15-10-13(8-9-22-15)19(25)23-20(2,3)12-28-16-7-5-6-14-11-29(26,27)24-18(21)17(14)16;20-17-16-14(11-27(24,25)22-17)7-4-8-15(16)26-12-19(9-10-19)21-18(23)13-5-2-1-3-6-13/h6,9-12,14,17H,3-5,7-8,13,15-16H2,1-2H3,(H2,26,29)(H,28,30);3-10H,11-12H2,1-2H3,(H2,21,25)(H,24,28);3-10H,11-12H2,1-2H3,(H2,21,26)(H,25,28);5-10H,3,11-12H2,1-2,4H3,(H2,21,24)(H,23,25);5-10H,4,11-12H2,1-3H3,(H2,21,24)(H,23,25);1-8H,9-12H2,(H2,20,22)(H,21,23)
InChIKeyMYWSNSWFICMXKQ-UHFFFAOYSA-N
MW2662.14 g/mol
LogP9.22
Rot. Bonds36

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide (PubChem CID 159711421) has the molecular formula C124H141N29O25S7 and a molecular weight of 2662.14 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide
PubChem CID159711421
Molecular FormulaC124H141N29O25S7
Molecular Weight2662.14 g/mol
Exact Mass2659.87
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide
SMILESC=S(C)(=O)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccnn2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2nccn2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(CC2CCCCC2)c1.CCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.NC1=NS(=O)(=O)Cc2cccc(OCC3(NC(=O)c4ccccc4)CC3)c21
InChIInChI=1S/C25H32N4O4S.2C20H21N7O4S.C20H24N4O5S2.C20H24N4O4S.C19H19N3O4S/c1-25(2,16-33-21-10-6-9-19-15-34(31,32)29-23(26)22(19)21)28-24(30)18-11-12-27-20(14-18)13-17-7-4-3-5-8-17;1-20(2,24-19(28)13-6-7-22-16(10-13)27-9-8-23-26-27)12-31-15-5-3-4-14-11-32(29,30)25-18(21)17(14)15;1-20(2,25-19(28)13-6-7-22-16(10-13)27-23-8-9-24-27)12-31-15-5-3-4-14-11-32(29,30)26-18(21)17(14)15;1-20(2,23-19(25)13-8-9-22-16(10-13)30(3,4)26)12-29-15-7-5-6-14-11-31(27,28)24-18(21)17(14)15;1-4-15-10-13(8-9-22-15)19(25)23-20(2,3)12-28-16-7-5-6-14-11-29(26,27)24-18(21)17(14)16;20-17-16-14(11-27(24,25)22-17)7-4-8-15(16)26-12-19(9-10-19)21-18(23)13-5-2-1-3-6-13/h6,9-12,14,17H,3-5,7-8,13,15-16H2,1-2H3,(H2,26,29)(H,28,30);3-10H,11-12H2,1-2H3,(H2,21,25)(H,24,28);3-10H,11-12H2,1-2H3,(H2,21,26)(H,25,28);5-10H,3,11-12H2,1-2,4H3,(H2,21,24)(H,23,25);5-10H,4,11-12H2,1-3H3,(H2,21,24)(H,23,25);1-8H,9-12H2,(H2,20,22)(H,21,23)
InChIKeyMYWSNSWFICMXKQ-UHFFFAOYSA-N
XLogP9.22
TPSA808.04 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002662.14
LogP ≤ 59.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide (CID 159711421) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide is C=S(C)(=O)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2ccnn2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-n2nccn2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(CC2CCCCC2)c1.CCc1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.NC1=NS(=O)(=O)Cc2cccc(OCC3(NC(=O)c4ccccc4)CC3)c21.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide?
The InChIKey is MYWSNSWFICMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S.2C20H21N7O4S.C20H24N4O5S2.C20H24N4O4S.C19H19N3O4S/c1-25(2,16-33-21-10-6-9-19-15-34(31,32)29-23(26)22(19)21)28-24(30)18-11-12-27-20(14-18)13-17-7-4-3-5-8-17;1-20(2,24-19(28)13-6-7-22-16(10-13)27-9-8-23-26-27)12-31-15-5-3-4-14-11-32(29,30)25-18(21)17(14)15;1-20(2,25-19(28)13-6-7-22-16(10-13)27-23-8-9-24-27)12-31-15-5-3-4-14-11-32(29,30)26-18(21)17(14)15;1-20(2,23-19(25)13-8-9-22-16(10-13)30(3,4)26)12-29-15-7-5-6-14-11-31(27,28)24-18(21)17(14)15;1-4-15-10-13(8-9-22-15)19(25)23-20(2,3)12-28-16-7-5-6-14-11-29(26,27)24-18(21)17(14)16;20-17-16-14(11-27(24,25)22-17)7-4-8-15(16)26-12-19(9-10-19)21-18(23)13-5-2-1-3-6-13/h6,9-12,14,17H,3-5,7-8,13,15-16H2,1-2H3,(H2,26,29)(H,28,30);3-10H,11-12H2,1-2H3,(H2,21,25)(H,24,28);3-10H,11-12H2,1-2H3,(H2,21,26)(H,25,28);5-10H,3,11-12H2,1-2,4H3,(H2,21,24)(H,23,25);5-10H,4,11-12H2,1-3H3,(H2,21,24)(H,23,25);1-8H,9-12H2,(H2,20,22)(H,21,23).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide has a molecular weight of 2662.14 g/mol, XLogP of 9.22, 36 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]benzamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(cyclohexylmethyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-ethylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(methyl-methylidene-oxo-λ6-sulfanyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-1-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(triazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 159711421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).