N-(3-chloro-4-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-(3-chloro-4-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0100 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 465.93 |
| Molecular Formula: | C21 H21 Cl F N3 O4 S |
| Smiles: | C(CNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4165 |
| logD: | 3.3561 |
| logSw: | -3.7851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.189 |
| InChI Key: | XXWUSTXVISMJCG-UHFFFAOYSA-N |