7-[3-(azepan-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(azepan-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(azepan-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0393 |
| Compound Name: | 7-[3-(azepan-1-yl)-3-oxopropyl]-N-ethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | CCNC(N1CCOc2ccc(CCC(N3CCCCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8303 |
| logD: | 2.8303 |
| logSw: | -3.2032 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.323 |
| InChI Key: | ZEVXSNFBSNUCPZ-UHFFFAOYSA-N |