N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethoxyphenyl)urea
Chemical Structure Depiction of
N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethoxyphenyl)urea
N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethoxyphenyl)urea
Compound characteristics
| Compound ID: | V008-3202 |
| Compound Name: | N-{[4-(2,4-dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethoxyphenyl)urea |
| Molecular Weight: | 542.49 |
| Molecular Formula: | C26 H25 Cl2 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC(NCc1nnc(n1c1ccc(cc1[Cl])[Cl])SCc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7003 |
| logD: | 6.7003 |
| logSw: | -6.1948 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.408 |
| InChI Key: | HJMBNHWMRMTLAU-UHFFFAOYSA-N |