2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2439 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 564.13 |
| Molecular Formula: | C28 H26 Cl N5 O2 S2 |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nc(n2)SCc1cccc(c1)[Cl])C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9215 |
| logD: | 6.9209 |
| logSw: | -6.4939 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.134 |
| InChI Key: | VNFWEKGZUZVQIY-VWLOTQADSA-N |