4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0129 |
| Compound Name: | 4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3cnn(C)c3C)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9006 |
| logD: | -0.2572 |
| logSw: | -3.1017 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.815 |
| InChI Key: | IVPRCRFGVHJQEA-UHFFFAOYSA-N |