3-[4-(azepane-1-sulfonyl)anilino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
3-[4-(azepane-1-sulfonyl)anilino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one
3-[4-(azepane-1-sulfonyl)anilino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0134 |
| Compound Name: | 3-[4-(azepane-1-sulfonyl)anilino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C28 H29 N3 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(cc1)NC1c2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6955 |
| logD: | 4.6955 |
| logSw: | -4.4836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.159 |
| InChI Key: | AXJJREFWFAFDEW-MHZLTWQESA-N |