7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0531 |
| Compound Name: | 7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CCN(Cc1ccncc1)C(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5406 |
| logD: | 2.522 |
| logSw: | -2.6083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.056 |
| InChI Key: | BZDBWVRRLAOCRT-UHFFFAOYSA-N |