(10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide

C134H157N31O38S — CID 158015043

About (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide

(10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide (PubChem CID 158015043) has the molecular formula C134H157N31O38S and a molecular weight of 2841.98 g/mol. Its IUPAC name is (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide.

Molecular Properties

• Compound Name: (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide
• PubChem CID: 158015043
• Molecular Formula: C134H157N31O38S
• Molecular Weight: 2841.98 g/mol
• Exact Mass: 2840.10
• IUPAC Name: (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide
• SMILES: CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)C(=O)c3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)Cc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3cc4ccccc4[nH]3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3cc4ccccc4s3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccc(O)cc3)C(=O)N12
• InChI: InChI=1S/C23H26N6O6.C23H25N5O6S.C23H29N5O6.C22H25N5O7.C22H27N5O6.C21H25N5O7/c1-14(31)11-16(13-30)24-22(34)19-7-4-9-28-20(32)8-10-27(23(35)29(19)28)26-21(33)18-12-15-5-2-3-6-17(15)25-18;1-14(30)11-16(13-29)24-21(32)17-6-4-9-27-20(31)8-10-26(23(34)28(17)27)25-22(33)19-12-15-5-2-3-7-18(15)35-19;1-16(30)14-18(15-29)24-22(33)19-8-5-12-27-21(32)11-13-26(23(34)28(19)27)25-20(31)10-9-17-6-3-2-4-7-17;1-14(29)12-16(13-28)23-20(32)17-8-5-10-26-18(30)9-11-25(22(34)27(17)26)24-21(33)19(31)15-6-3-2-4-7-15;1-15(29)12-17(14-28)23-21(32)18-8-5-10-26-20(31)9-11-25(22(33)27(18)26)24-19(30)13-16-6-3-2-4-7-16;1-13(28)11-15(12-27)22-20(32)17-3-2-9-25-18(30)8-10-24(21(33)26(17)25)23-19(31)14-4-6-16(29)7-5-14/h2-3,5-6,12-13,16,19,25H,4,7-11H2,1H3,(H,24,34)(H,26,33);2-3,5,7,12-13,16-17H,4,6,8-11H2,1H3,(H,24,32)(H,25,33);2-4,6-7,15,18-19H,5,8-14H2,1H3,(H,24,33)(H,25,31);2-4,6-7,13,16-17H,5,8-12H2,1H3,(H,23,32)(H,24,33);2-4,6-7,14,17-18H,5,8-13H2,1H3,(H,23,32)(H,24,30);4-7,12,15,17,29H,2-3,8-11H2,1H3,(H,22,32)(H,23,31)/t16-,19-;16-,17-;18-,19-;16-,17-;17-,18-;15-,17-/m000000/s1
• InChIKey: FFIUKCIGRYCPRO-XXPXLONJSA-N
• XLogP: 1.39
• TPSA: 870.29 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 46
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2841.98
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide?

The IUPAC name of (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide (CID 158015043) is (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide.

What is the SMILES notation for (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide?

The canonical SMILES for (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide is CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)C(=O)c3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)CCc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)Cc3ccccc3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3cc4ccccc4[nH]3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3cc4ccccc4s3)C(=O)N12.CC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccc(O)cc3)C(=O)N12.

What is the InChIKey of (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide?

The InChIKey is FFIUKCIGRYCPRO-XXPXLONJSA-N. The full InChI is InChI=1S/C23H26N6O6.C23H25N5O6S.C23H29N5O6.C22H25N5O7.C22H27N5O6.C21H25N5O7/c1-14(31)11-16(13-30)24-22(34)19-7-4-9-28-20(32)8-10-27(23(35)29(19)28)26-21(33)18-12-15-5-2-3-6-17(15)25-18;1-14(30)11-16(13-29)24-21(32)17-6-4-9-27-20(31)8-10-26(23(34)28(17)27)25-22(33)19-12-15-5-2-3-7-18(15)35-19;1-16(30)14-18(15-29)24-22(33)19-8-5-12-27-21(32)11-13-26(23(34)28(19)27)25-20(31)10-9-17-6-3-2-4-7-17;1-14(29)12-16(13-28)23-20(32)17-8-5-10-26-18(30)9-11-25(22(34)27(17)26)24-21(33)19(31)15-6-3-2-4-7-15;1-15(29)12-17(14-28)23-21(32)18-8-5-10-26-20(31)9-11-25(22(33)27(18)26)24-19(30)13-16-6-3-2-4-7-16;1-13(28)11-15(12-27)22-20(32)17-3-2-9-25-18(30)8-10-24(21(33)26(17)25)23-19(31)14-4-6-16(29)7-5-14/h2-3,5-6,12-13,16,19,25H,4,7-11H2,1H3,(H,24,34)(H,26,33);2-3,5,7,12-13,16-17H,4,6,8-11H2,1H3,(H,24,32)(H,25,33);2-4,6-7,15,18-19H,5,8-14H2,1H3,(H,24,33)(H,25,31);2-4,6-7,13,16-17H,5,8-12H2,1H3,(H,23,32)(H,24,33);2-4,6-7,14,17-18H,5,8-13H2,1H3,(H,23,32)(H,24,30);4-7,12,15,17,29H,2-3,8-11H2,1H3,(H,22,32)(H,23,31)/t16-,19-;16-,17-;18-,19-;16-,17-;17-,18-;15-,17-/m000000/s1.

What are the key properties of (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide?

(10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide has a molecular weight of 2841.98 g/mol, XLogP of 1.39, 46 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-2-(1-benzothiophene-2-carbonylamino)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-oxo-2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-[(2-phenylacetyl)amino]-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-1,5-dioxo-2-(3-phenylpropanoylamino)-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-[(4-hydroxybenzoyl)amino]-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide;(10S)-N-[(2S)-1,4-dioxopentan-2-yl]-2-(1H-indole-2-carbonylamino)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide is sourced from PubChem (CID 158015043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).