4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}benzonitrile
4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | S629-2542 |
| Compound Name: | 4-{7-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-sulfonyl}benzonitrile |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | C1CCN(C1)C(CCc1ccc2c(CN(CCO2)S(c2ccc(C#N)cc2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.025 |
| logD: | 3.025 |
| logSw: | -3.4052 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.437 |
| InChI Key: | OWDGHDPKONVEOM-UHFFFAOYSA-N |