N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea
Chemical Structure Depiction of
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea
N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea
Compound characteristics
| Compound ID: | V008-3167 |
| Compound Name: | N-{[4-(2,5-dichlorophenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-(4-ethylphenyl)urea |
| Molecular Weight: | 542.49 |
| Molecular Formula: | C26 H25 Cl2 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)NC(NCc1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.406 |
| logD: | 6.406 |
| logSw: | -6.2659 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.828 |
| InChI Key: | HONRRWTZLMQPKR-UHFFFAOYSA-N |