N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-fluoro-4-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-fluoro-4-methylphenyl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-fluoro-4-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0917 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-fluoro-4-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 419.47 |
| Molecular Formula: | C20 H22 F N3 O4 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1ccc(C)c(c1)F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5249 |
| logD: | 2.5235 |
| logSw: | -2.9807 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.406 |
| InChI Key: | BHFSGKANQYUCLY-UHFFFAOYSA-N |