N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2276 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(Nc1cccc(c1)SC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6893 |
| logD: | 2.6892 |
| logSw: | -3.302 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.345 |
| InChI Key: | JOMLRFVCPRRXKF-CQSZACIVSA-N |