(4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide

C145H178Cl4N28O45 — CID 160850922

About (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide

(4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide (PubChem CID 160850922) has the molecular formula C145H178Cl4N28O45 and a molecular weight of 3174.98 g/mol. Its IUPAC name is (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide.

Molecular Properties

• Compound Name: (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
• PubChem CID: 160850922
• Molecular Formula: C145H178Cl4N28O45
• Molecular Weight: 3174.98 g/mol
• Exact Mass: 3171.13
• IUPAC Name: (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
• SMILES: CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(N)c(Cl)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(NC(C)=O)c(Cl)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(OC)cc3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3cccc(N(C)C)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3cccc(NC(C)=O)c3)C(=O)N12
• InChI: InChI=1S/C25H30ClN5O8.C25H31N5O8.C25H33N5O7.C24H30N4O8.C23H26Cl2N4O7.C23H28ClN5O7/c1-3-38-25-18(12-21(34)39-25)29-23(36)19-5-4-10-30-20(33)9-8-17(24(37)31(19)30)28-22(35)14-6-7-16(15(26)11-14)27-13(2)32;1-3-37-25-18(13-21(33)38-25)28-23(35)19-8-5-11-29-20(32)10-9-17(24(36)30(19)29)27-22(34)15-6-4-7-16(12-15)26-14(2)31;1-4-36-25-18(14-21(32)37-25)27-23(34)19-9-6-12-29-20(31)11-10-17(24(35)30(19)29)26-22(33)15-7-5-8-16(13-15)28(2)3;1-3-35-24-17(13-20(30)36-24)26-22(32)18-5-4-12-27-19(29)11-10-16(23(33)28(18)27)25-21(31)14-6-8-15(34-2)9-7-14;1-2-35-23-16(11-19(31)36-23)27-21(33)17-4-3-7-28-18(30)6-5-15(22(34)29(17)28)26-20(32)12-8-13(24)10-14(25)9-12;1-2-35-23-16(11-19(31)36-23)27-21(33)17-4-3-9-28-18(30)8-7-15(22(34)29(17)28)26-20(32)12-5-6-14(25)13(24)10-12/h6-7,11,17-19,25H,3-5,8-10,12H2,1-2H3,(H,27,32)(H,28,35)(H,29,36);4,6-7,12,17-19,25H,3,5,8-11,13H2,1-2H3,(H,26,31)(H,27,34)(H,28,35);5,7-8,13,17-19,25H,4,6,9-12,14H2,1-3H3,(H,26,33)(H,27,34);6-9,16-18,24H,3-5,10-13H2,1-2H3,(H,25,31)(H,26,32);8-10,15-17,23H,2-7,11H2,1H3,(H,26,32)(H,27,33);5-6,10,15-17,23H,2-4,7-9,11,25H2,1H3,(H,26,32)(H,27,33)/t3*17-,18-,19-,25?;16-,17-,18-,24?;2*15-,16-,17-,23?/m000000/s1
• InChIKey: SJGCXWOSCQIDHL-JPJJPOMASA-N
• XLogP: 2.83
• TPSA: 902.79 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 47
• Rotatable Bonds: 40
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3174.98
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?

The IUPAC name of (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide (CID 160850922) is (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide.

What is the SMILES notation for (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?

The canonical SMILES for (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide is CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(N)c(Cl)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(NC(C)=O)c(Cl)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(OC)cc3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3cccc(N(C)C)c3)C(=O)N12.CCOC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3cccc(NC(C)=O)c3)C(=O)N12.

What is the InChIKey of (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?

The InChIKey is SJGCXWOSCQIDHL-JPJJPOMASA-N. The full InChI is InChI=1S/C25H30ClN5O8.C25H31N5O8.C25H33N5O7.C24H30N4O8.C23H26Cl2N4O7.C23H28ClN5O7/c1-3-38-25-18(12-21(34)39-25)29-23(36)19-5-4-10-30-20(33)9-8-17(24(37)31(19)30)28-22(35)14-6-7-16(15(26)11-14)27-13(2)32;1-3-37-25-18(13-21(33)38-25)28-23(35)19-8-5-11-29-20(32)10-9-17(24(36)30(19)29)27-22(34)15-6-4-7-16(12-15)26-14(2)31;1-4-36-25-18(14-21(32)37-25)27-23(34)19-9-6-12-29-20(31)11-10-17(24(35)30(19)29)26-22(33)15-7-5-8-16(13-15)28(2)3;1-3-35-24-17(13-20(30)36-24)26-22(32)18-5-4-12-27-19(29)11-10-16(23(33)28(18)27)25-21(31)14-6-8-15(34-2)9-7-14;1-2-35-23-16(11-19(31)36-23)27-21(33)17-4-3-7-28-18(30)6-5-15(22(34)29(17)28)26-20(32)12-8-13(24)10-14(25)9-12;1-2-35-23-16(11-19(31)36-23)27-21(33)17-4-3-9-28-18(30)8-7-15(22(34)29(17)28)26-20(32)12-5-6-14(25)13(24)10-12/h6-7,11,17-19,25H,3-5,8-10,12H2,1-2H3,(H,27,32)(H,28,35)(H,29,36);4,6-7,12,17-19,25H,3,5,8-11,13H2,1-2H3,(H,26,31)(H,27,34)(H,28,35);5,7-8,13,17-19,25H,4,6,9-12,14H2,1-3H3,(H,26,33)(H,27,34);6-9,16-18,24H,3-5,10-13H2,1-2H3,(H,25,31)(H,26,32);8-10,15-17,23H,2-7,11H2,1H3,(H,26,32)(H,27,33);5-6,10,15-17,23H,2-4,7-9,11,25H2,1H3,(H,26,32)(H,27,33)/t3*17-,18-,19-,25?;16-,17-,18-,24?;2*15-,16-,17-,23?/m000000/s1.

What are the key properties of (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?

(4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide has a molecular weight of 3174.98 g/mol, XLogP of 2.83, 40 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-acetamido-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(4-amino-3-chlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[(3,5-dichlorobenzoyl)amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-7-[[3-(dimethylamino)benzoyl]amino]-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide;(4S,7S)-N-[(3S)-2-ethoxy-5-oxooxolan-3-yl]-7-[(4-methoxybenzoyl)amino]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide is sourced from PubChem (CID 160850922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).