2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G922-0910 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-N,7-diphenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C26 H22 Cl N5 O S |
| Smiles: | CC1=C(C(c2ccccc2)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6941 |
| logD: | 5.6936 |
| logSw: | -6.0312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | ZIRQVJOQMYEADE-QHCPKHFHSA-N |