(7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide

C24H30N4O7 — CID 59947851

IUPAC(7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
SMILESCC(C)OC1OC(=O)C[C@@H]1NC(=O)C1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12
InChIInChI=1S/C24H30N4O7/c1-14(2)34-24-17(13-20(30)35-24)26-22(32)18-9-6-12-27-19(29)11-10-16(23(33)28(18)27)25-21(31)15-7-4-3-5-8-15/h3-5,7-8,14,16-18,24H,6,9-13H2,1-2H3,(H,25,31)(H,26,32)/t16-,17-,18?,24?/m0/s1
InChIKeyDFYBGGRDOKZDMS-VQLJEYIZSA-N
MW486.53 g/mol
LogP0.50
Rot. Bonds6

About (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide

(7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide (PubChem CID 59947851) has the molecular formula C24H30N4O7 and a molecular weight of 486.53 g/mol. Its IUPAC name is (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide.

Molecular Properties

Compound Name(7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
PubChem CID59947851
Molecular FormulaC24H30N4O7
Molecular Weight486.53 g/mol
Exact Mass486.21
IUPAC Name(7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
SMILESCC(C)OC1OC(=O)C[C@@H]1NC(=O)C1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12
InChIInChI=1S/C24H30N4O7/c1-14(2)34-24-17(13-20(30)35-24)26-22(32)18-9-6-12-27-19(29)11-10-16(23(33)28(18)27)25-21(31)15-7-4-3-5-8-15/h3-5,7-8,14,16-18,24H,6,9-13H2,1-2H3,(H,25,31)(H,26,32)/t16-,17-,18?,24?/m0/s1
InChIKeyDFYBGGRDOKZDMS-VQLJEYIZSA-N
XLogP0.50
TPSA134.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[3-[(7-benzamido-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl)amino]-5-oxooxolan-2-yl] benzoate
CID 142642703
(7S)-7-benzamido-N-[(3S)-2-methyl-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 59960853
7-benzamido-N-(2-methyl-5-oxooxolan-3-yl)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 22955105
7-benzamido-6,10-dioxo-N-(5-oxo-2-phenylmethoxyoxolan-3-yl)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 18465729
7-benzamido-6,10-dioxo-N-[(2R,3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 59947510
7-benzamido-6,10-dioxo-N-[5-oxo-2-(2-phenylethoxy)oxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 18465624
(4S,7S)-7-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-6,10-dioxo-N-[(2S,3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 59947250
(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
CID 59947893
(4S,7S)-7-[(3-acetamidobenzoyl)amino]-N-[(2R,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
CID 70993464
(4S,7S)-6,10-dioxo-7-[(2-oxo-2-phenylacetyl)amino]-N-[(2R,3S)-5-oxo-2-phenylmethoxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 66756795
(4S,7S)-N-[(3S)-2-methoxy-5-oxooxolan-3-yl]-7-(naphthalene-1-carbonylamino)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 59098423
7-(methylamino)-6,10-dioxo-N-(5-oxo-2-phenylmethoxyoxolan-3-yl)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 22955279

Frequently Asked Questions

What is the IUPAC name of (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?
The IUPAC name of (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide (CID 59947851) is (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide.
What is the SMILES notation for (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?
The canonical SMILES for (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide is CC(C)OC1OC(=O)C[C@@H]1NC(=O)C1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12.
What is the InChIKey of (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?
The InChIKey is DFYBGGRDOKZDMS-VQLJEYIZSA-N. The full InChI is InChI=1S/C24H30N4O7/c1-14(2)34-24-17(13-20(30)35-24)26-22(32)18-9-6-12-27-19(29)11-10-16(23(33)28(18)27)25-21(31)15-7-4-3-5-8-15/h3-5,7-8,14,16-18,24H,6,9-13H2,1-2H3,(H,25,31)(H,26,32)/t16-,17-,18?,24?/m0/s1.
What are the key properties of (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide?
(7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-benzamido-6,10-dioxo-N-[(3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide is sourced from PubChem (CID 59947851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).