N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0794 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C23 H29 N3 O6 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(NCCc1ccc(c(c1)OC)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8672 |
| logD: | 0.8671 |
| logSw: | -2.4913 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.83 |
| InChI Key: | ZHLKRDRONYCRGM-UHFFFAOYSA-N |