N-({3-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
Chemical Structure Depiction of
N-({3-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
N-({3-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine
Compound characteristics
| Compound ID: | 8018-1209 |
| Compound Name: | N-({3-bromo-5-methoxy-4-[(propan-2-yl)oxy]phenyl}methyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amine |
| Molecular Weight: | 435.32 |
| Molecular Formula: | C18 H23 Br N6 O2 |
| Smiles: | CC(C)Oc1c(cc(CNn2cnnc2n2c(C)cc(C)n2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 2.5711 |
| logD: | 2.57 |
| logSw: | -2.6542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.462 |
| InChI Key: | QPMSNPWMUJGOMI-UHFFFAOYSA-N |