N-(3-chlorophenyl)-N'-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)urea
Chemical Structure Depiction of
N-(3-chlorophenyl)-N'-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)urea
N-(3-chlorophenyl)-N'-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)urea
Compound characteristics
| Compound ID: | V015-1170 |
| Compound Name: | N-(3-chlorophenyl)-N'-(3-{3-[(propan-2-yl)oxy]-5-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}phenyl)urea |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2cccs2)n(c2cccc(c2)NC(Nc2cccc(c2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8187 |
| logD: | 6.8187 |
| logSw: | -6.3887 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.814 |
| InChI Key: | QPCHAEQRSTVPAZ-UHFFFAOYSA-N |