N-ethyl-7-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0436 |
| Compound Name: | N-ethyl-7-(3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}propyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(NCCc3ccccn3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6084 |
| logD: | 1.6035 |
| logSw: | -2.3111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.456 |
| InChI Key: | GYGWBCBLPVCLDT-UHFFFAOYSA-N |