2-(benzylsulfanyl)-N-(2-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-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2515 |
| Compound Name: | 2-(benzylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C28 H27 N5 O2 S2 |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9575 |
| logD: | 5.9569 |
| logSw: | -5.5814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.523 |
| InChI Key: | YLHSFBXCXWKTDL-VWLOTQADSA-N |