N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(propan-2-yl)phenyl]urea
Chemical Structure Depiction of
N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(propan-2-yl)phenyl]urea
N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(propan-2-yl)phenyl]urea
Compound characteristics
| Compound ID: | V014-8193 |
| Compound Name: | N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-N'-[4-(propan-2-yl)phenyl]urea |
| Molecular Weight: | 544.48 |
| Molecular Formula: | C26 H24 Cl2 F N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)NC(NCc1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5096 |
| logD: | 6.5096 |
| logSw: | -6.4329 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.284 |
| InChI Key: | VCHKMQNTWIOIAB-UHFFFAOYSA-N |