N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide
Chemical Structure Depiction of
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide
Compound characteristics
Compound ID: | V014-1552 |
Compound Name: | N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-hexylbenzamide |
Molecular Weight: | 563.16 |
Molecular Formula: | C31 H35 Cl N4 O2 S |
Salt: | not_available |
Smiles: | CCCCCCc1ccc(cc1)C(NCc1nnc(n1c1cc(ccc1C)[Cl])SCc1cccc(c1)OC)=O |
Stereo: | ACHIRAL |
logP: | 8.3285 |
logD: | 8.3285 |
logSw: | -6.3697 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.616 |
InChI Key: | AZJYEPFWWXPUJJ-UHFFFAOYSA-N |