ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
Compound ID: | V009-3628 |
Compound Name: | ethyl 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
Molecular Weight: | 415.94 |
Molecular Formula: | C21 H22 Cl N3 O2 S |
Salt: | not_available |
Smiles: | CCCC(C(=O)OCC)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6332 |
logD: | 5.6332 |
logSw: | -5.7736 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.738 |
InChI Key: | RONBHLFBAKJASU-SFHVURJKSA-N |