N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-1689 |
| Compound Name: | N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C23 H24 Cl N5 O4 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)OC)OC)OC)n2c(N1)nc(n2)SC)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4051 |
| logD: | 4.4041 |
| logSw: | -4.7207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.84 |
| InChI Key: | LSYYZUKYUHNSIT-IBGZPJMESA-N |