2-methoxyethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-methoxyethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-1483 |
| Compound Name: | 2-methoxyethyl 2-(benzylsulfanyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C23 H23 F N4 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)F)n2c(N1)nc(n2)SCc1ccccc1)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7212 |
| logD: | 3.6203 |
| logSw: | -3.9768 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.89 |
| InChI Key: | LFUHPNDMDSDNHW-FQEVSTJZSA-N |