N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Compound characteristics
| Compound ID: | C447-0279 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC(c1cccc2CN(Cc3cccnc3)C(c12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9906 |
| logD: | 2.9697 |
| logSw: | -3.5102 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.536 |
| InChI Key: | GHBDICJGRRBZPJ-UHFFFAOYSA-N |