N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
Compound characteristics
| Compound ID: | C447-0595 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Smiles: | CCCN1Cc2cccc(C(Nc3ccc(cc3)S(N3CCCCCC3)(=O)=O)=O)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.7545 |
| logD: | 3.7337 |
| logSw: | -3.9903 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.268 |
| InChI Key: | KYZOTXCXQJQPQX-UHFFFAOYSA-N |