N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V014-1520 |
| Compound Name: | N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C26 H24 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NCc1nnc(n1c1cc(ccc1C)[Cl])SCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.657 |
| logD: | 5.6568 |
| logSw: | -5.9796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.697 |
| InChI Key: | ZQYTYJVGCDUJEJ-UHFFFAOYSA-N |