7-(3-{methyl[(pyridin-3-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-(3-{methyl[(pyridin-3-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-(3-{methyl[(pyridin-3-yl)methyl]amino}-3-oxopropyl)-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0570 |
| Compound Name: | 7-(3-{methyl[(pyridin-3-yl)methyl]amino}-3-oxopropyl)-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(N(C)Cc3cccnc3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6657 |
| logD: | 2.6652 |
| logSw: | -2.6805 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.361 |
| InChI Key: | UOCCOHXLBIXWFX-UHFFFAOYSA-N |