N-(2,3-dimethylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-(2,3-dimethylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-1312 |
| Compound Name: | N-(2,3-dimethylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C22 H27 N3 O4 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(Nc1cccc(C)c1C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1394 |
| logD: | 3.1393 |
| logSw: | -3.4582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.713 |
| InChI Key: | CNPMMHZAQGMUDM-UHFFFAOYSA-N |