N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0885 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C20 H23 N3 O4 S2 |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1cccc(c1)SC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3361 |
| logD: | 2.336 |
| logSw: | -2.976 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.406 |
| InChI Key: | UCGPBWFDZFYVQG-UHFFFAOYSA-N |