N-(3-chlorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-(3-chlorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
Compound ID: | G849-0015 |
Compound Name: | N-(3-chlorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
Molecular Weight: | 447.94 |
Molecular Formula: | C21 H22 Cl N3 O4 S |
Smiles: | C(CNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)C(Nc1cccc(c1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.4399 |
logD: | 3.4389 |
logSw: | -3.7386 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.189 |
InChI Key: | YSEVHLPYCPJUNE-UHFFFAOYSA-N |