4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)phenyl thiocyanate
Chemical Structure Depiction of
4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)phenyl thiocyanate
4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)phenyl thiocyanate
Compound characteristics
| Compound ID: | D443-1810 |
| Compound Name: | 4-({1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-carbonyl}amino)phenyl thiocyanate |
| Molecular Weight: | 486.94 |
| Molecular Formula: | C24 H15 Cl N6 O2 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)SC#N)=O)nnn1c1ccc2c(c1)c(c1ccc(cc1)[Cl])on2 |
| Stereo: | ACHIRAL |
| logP: | 5.5316 |
| logD: | 5.5311 |
| logSw: | -6.0918 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.452 |
| InChI Key: | PSXLOYURIASCQC-UHFFFAOYSA-N |