4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-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-(4-chlorophenyl)-1H-1,2,3-triazol-5-amine
4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | F988-0384 |
| Compound Name: | 4-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C18 H12 Cl N5 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1csc(c2c(N)n(c3ccc(cc3)[Cl])nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4156 |
| logD: | 4.4156 |
| logSw: | -4.6899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.91 |
| InChI Key: | YXCALGSQNAPOFE-UHFFFAOYSA-N |