N-[3-(methylsulfanyl)phenyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-[3-(methylsulfanyl)phenyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-1402 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(Nc1cccc(c1)SC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9698 |
| logD: | 2.9697 |
| logSw: | -3.6531 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.41 |
| InChI Key: | PHTYTRAQWHBOKB-UHFFFAOYSA-N |