N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-N'-(2-methylphenyl)urea
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-N'-(2-methylphenyl)urea
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-N'-(2-methylphenyl)urea
Compound characteristics
| Compound ID: | V012-7036 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-N'-(2-methylphenyl)urea |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C27 H27 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)COc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(Nc2ccccc2C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3954 |
| logD: | 6.3954 |
| logSw: | -5.7255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.91 |
| InChI Key: | PSLGDUJCDDTFAP-UHFFFAOYSA-N |