N-(butan-2-yl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(butan-2-yl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | S629-2499 |
| Compound Name: | N-(butan-2-yl)-7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | CCC(C)NC(N1CCOc2ccc(CCC(N3CCCC3)=O)cc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0098 |
| logD: | 3.0098 |
| logSw: | -3.2623 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.174 |
| InChI Key: | AYUXOZQHRQYLDI-INIZCTEOSA-N |