N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}tetradecanamide
Chemical Structure Depiction of
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}tetradecanamide
N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}tetradecanamide
Compound characteristics
| Compound ID: | V015-7991 |
| Compound Name: | N-{[4-(5-chloro-2-methylphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}tetradecanamide |
| Molecular Weight: | 585.25 |
| Molecular Formula: | C32 H45 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCCCCCCCCCCCC(NCc1nnc(n1c1cc(ccc1C)[Cl])SCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 9.5536 |
| logD: | 9.5536 |
| logSw: | -6.2923 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.675 |
| InChI Key: | UAEGYIIPUCZWEF-UHFFFAOYSA-N |