N-ethyl-7-[3-oxo-3-(propylamino)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-ethyl-7-[3-oxo-3-(propylamino)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-ethyl-7-[3-oxo-3-(propylamino)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-0877 |
| Compound Name: | N-ethyl-7-[3-oxo-3-(propylamino)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C18 H27 N3 O3 |
| Smiles: | CCCNC(CCc1ccc2c(CN(CCO2)C(NCC)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8086 |
| logD: | 1.8086 |
| logSw: | -2.4387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.184 |
| InChI Key: | HOSXISKCJDCEHX-UHFFFAOYSA-N |