N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2305 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-fluorophenyl)-beta-alaninamide |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C20 H21 Cl F N3 O4 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(Nc1ccc(c(c1)[Cl])F)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9585 |
| logD: | 2.8982 |
| logSw: | -3.5037 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.345 |
| InChI Key: | SGLOMQLASZHCOY-GFCCVEGCSA-N |