4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}benzonitrile
4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S629-2296 |
| Compound Name: | 4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carbonyl}benzonitrile |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | C1CCN(C1)C(CCc1ccc2c(CN(CCO2)C(c2ccc(C#N)cc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7615 |
| logD: | 2.7615 |
| logSw: | -2.9858 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.374 |
| InChI Key: | SLRXDGQNCNHQPU-UHFFFAOYSA-N |