2-(benzylsulfanyl)-N-(4-chlorophenyl)-7-[4-(difluoromethanesulfonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(4-chlorophenyl)-7-[4-(difluoromethanesulfonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-N-(4-chlorophenyl)-7-[4-(difluoromethanesulfonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-0547 |
| Compound Name: | 2-(benzylsulfanyl)-N-(4-chlorophenyl)-7-[4-(difluoromethanesulfonyl)phenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 602.08 |
| Molecular Formula: | C27 H22 Cl F2 N5 O3 S2 |
| Smiles: | CC1=C(C(c2ccc(cc2)S(C(F)F)(=O)=O)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2501 |
| logD: | 5.2496 |
| logSw: | -5.9154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.363 |
| InChI Key: | GOLGHGJFARRCQL-QHCPKHFHSA-N |