N-[(4-methylphenyl)methyl]-4-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-4-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S650-5948 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-(6-oxo-1,4,5,6-tetrahydropyridazine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)C(C3CCC(NN=3)=O)=O)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9313 |
| logD: | 1.7555 |
| logSw: | -2.6418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.653 |
| InChI Key: | RPZZZGXPJBYHQW-UHFFFAOYSA-N |