N~2~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]valinamide
Chemical Structure Depiction of
N~2~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]valinamide
N~2~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]valinamide
Compound characteristics
| Compound ID: | C450-0086 |
| Compound Name: | N~2~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]valinamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | CC(C)C(C(NCc1ccc2c(c1)OCO2)=O)NS(c1ccc2c(CCN2C(C)=O)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1688 |
| logD: | 2.1683 |
| logSw: | -2.8548 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.781 |
| InChI Key: | WLIKMXWDNPVOBE-QFIPXVFZSA-N |