N-(3,4-dimethoxyphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-(3,4-dimethoxyphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-1265 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C22 H27 N3 O6 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(Nc1ccc(c(c1)OC)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0438 |
| logD: | 2.0435 |
| logSw: | -3.0055 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.671 |
| InChI Key: | XOHPQOVOHNMPLL-UHFFFAOYSA-N |