7-{[acetyl(4-methylphenyl)amino]methyl}-N-[(oxolan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-{[acetyl(4-methylphenyl)amino]methyl}-N-[(oxolan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-{[acetyl(4-methylphenyl)amino]methyl}-N-[(oxolan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | L755-0377 |
| Compound Name: | 7-{[acetyl(4-methylphenyl)amino]methyl}-N-[(oxolan-2-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C25 H31 N3 O4 |
| Smiles: | CC(N(Cc1ccc2c(CN(CCO2)C(NCC2CCCO2)=O)c1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0276 |
| logD: | 3.0276 |
| logSw: | -3.129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.719 |
| InChI Key: | FZTCNZDXBCOHGO-HSZRJFAPSA-N |