1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D443-1981 |
| Compound Name: | 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 493.93 |
| Molecular Formula: | C22 H16 Cl N7 O3 S |
| Smiles: | CC(Cc1nc(NC(c2c(C)n(c3ccc4c(c3)c(c3ccc(cc3)[Cl])on4)nn2)=O)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1831 |
| logD: | 3.7946 |
| logSw: | -4.5822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.841 |
| InChI Key: | SHXWZDSWMJRVIT-UHFFFAOYSA-N |