N-(2H-1,3-benzodioxol-5-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-(2H-1,3-benzodioxol-5-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-1413 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.342 |
| logD: | 2.3417 |
| logSw: | -3.0698 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.526 |
| InChI Key: | CPGDCSRUPURONO-UHFFFAOYSA-N |