N-[(4-methylphenyl)methyl]-4-[(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-[(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(4-methylphenyl)methyl]-4-[(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | S650-5956 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-[(morpholin-4-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C24 H29 N3 O4 |
| Smiles: | Cc1ccc(CNC(c2ccc3c(CN(CCO3)C(CN3CCOCC3)=O)c2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9385 |
| logD: | 1.9378 |
| logSw: | -2.6466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.63 |
| InChI Key: | UFEHGPPCHITOJG-UHFFFAOYSA-N |