4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2,4-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
Chemical Structure Depiction of
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2,4-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2,4-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | F988-0714 |
| Compound Name: | 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(5-chloro-2,4-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C20 H16 Cl N5 O4 S |
| Smiles: | COc1cc(c(cc1n1c(c(c2nc(cs2)c2ccc3c(c2)OCO3)nn1)N)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.4971 |
| logD: | 4.4971 |
| logSw: | -4.6797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.87 |
| InChI Key: | NJBRFRRDEIBEAM-UHFFFAOYSA-N |