N-benzyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0253 |
| Compound Name: | N-benzyl-4-[(pyridin-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C23 H23 N3 O2 |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(CN(CCO2)Cc2cccnc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6711 |
| logD: | 2.6442 |
| logSw: | -3.0099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.846 |
| InChI Key: | IKEHXVVMZLCJNP-UHFFFAOYSA-N |