N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2-methoxy-5-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2-methoxy-5-methylphenyl)-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2-methoxy-5-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2331 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2-methoxy-5-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(Nc1cc(C)ccc1OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0653 |
| logD: | 2.065 |
| logSw: | -2.9916 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.277 |
| InChI Key: | ZMUHOLHSVMMYMU-OAHLLOKOSA-N |