N-[(4-methylphenyl)methyl]-4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0096 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[(pyridin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C24 H25 N3 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)Cc3ccncc3)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0511 |
| logD: | 3.0266 |
| logSw: | -2.9419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.757 |
| InChI Key: | PUTOMLHVEICLIT-UHFFFAOYSA-N |