N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0183 |
| Compound Name: | N-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C24 H19 Cl2 N5 O S2 |
| Smiles: | CC1=C(C(c2cccs2)n2c(N1)nc(n2)SCc1cccc(c1)[Cl])C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4388 |
| logD: | 6.4381 |
| logSw: | -6.224 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.609 |
| InChI Key: | KTCSQEOVFZXUGW-NRFANRHFSA-N |