N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C464-0694 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C24 H29 N3 O6 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NC(C(C)C)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8025 |
| logD: | 2.802 |
| logSw: | -3.5093 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.786 |
| InChI Key: | XHWWGSUMXARDDI-QHCPKHFHSA-N |