N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0795 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1cccc(C)c1C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5056 |
| logD: | 2.5055 |
| logSw: | -2.8616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.708 |
| InChI Key: | CWFHAYCSKZIXMY-UHFFFAOYSA-N |