7-[3-(diethylamino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-(diethylamino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-(diethylamino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0600 |
| Compound Name: | 7-[3-(diethylamino)-3-oxopropyl]-N-(propan-2-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C20 H31 N3 O3 |
| Smiles: | CCN(CC)C(CCc1ccc2c(CN(CCO2)C(NC(C)C)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8069 |
| logD: | 2.8069 |
| logSw: | -3.2363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.624 |
| InChI Key: | NWPPFFQSBSFOBQ-UHFFFAOYSA-N |