7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-N-propyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-N-propyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-N-propyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-2483 |
| Compound Name: | 7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-N-propyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | CCCNC(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8252 |
| logD: | 2.8252 |
| logSw: | -3.2069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.574 |
| InChI Key: | MRJCOISJRWYJCA-UHFFFAOYSA-N |