N-(3,4-dimethoxyphenyl)-N'-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N'-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea
N-(3,4-dimethoxyphenyl)-N'-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea
Compound characteristics
| Compound ID: | G719-1195 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | Cc1ccc(Cc2nc(CCNC(Nc3ccc(c(c3)OC)OC)=O)n[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1095 |
| logD: | 3.108 |
| logSw: | -3.3212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.732 |
| InChI Key: | QLHFVZAIQKAQNB-UHFFFAOYSA-N |