3-[4-(azepane-1-sulfonyl)anilino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
3-[4-(azepane-1-sulfonyl)anilino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
3-[4-(azepane-1-sulfonyl)anilino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C429-0492 |
| Compound Name: | 3-[4-(azepane-1-sulfonyl)anilino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 510.05 |
| Molecular Formula: | C27 H28 Cl N3 O3 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC1c2ccccc2C(N1Cc1ccccc1[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6427 |
| logD: | 5.6427 |
| logSw: | -5.8886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.044 |
| InChI Key: | FQANHKSELJZNCP-SANMLTNESA-N |