N-ethyl-7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0383 |
| Compound Name: | N-ethyl-7-(3-{ethyl[(pyridin-4-yl)methyl]amino}-3-oxopropyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(N(CC)Cc3ccncc3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9487 |
| logD: | 1.9301 |
| logSw: | -2.3593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.708 |
| InChI Key: | ASEZYIKTGPQSMK-UHFFFAOYSA-N |