2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-(morpholine-4-sulfonyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-(morpholine-4-sulfonyl)anilino]-2,3-dihydro-1H-isoindol-1-one
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-(morpholine-4-sulfonyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0132 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-(morpholine-4-sulfonyl)anilino]-2,3-dihydro-1H-isoindol-1-one |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C26 H25 N3 O6 S |
| Smiles: | C1COCCN1S(c1ccc(cc1)NC1c2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2101 |
| logD: | 3.2101 |
| logSw: | -3.689 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.737 |
| InChI Key: | BPBYBNLWGQBDBU-VWLOTQADSA-N |