7-(3-oxo-3-{[2-(pyridin-4-yl)ethyl]amino}propyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-oxo-3-{[2-(pyridin-4-yl)ethyl]amino}propyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-oxo-3-{[2-(pyridin-4-yl)ethyl]amino}propyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0559 |
| Compound Name: | 7-(3-oxo-3-{[2-(pyridin-4-yl)ethyl]amino}propyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | CC(C)NC(N1CCOc2ccc(CCC(NCCc3ccncc3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7517 |
| logD: | 1.7068 |
| logSw: | -2.0632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.689 |
| InChI Key: | SRQCVOZYCQEVOW-UHFFFAOYSA-N |