2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-1482 |
| Compound Name: | 2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC1=C(C(c2ccccc2)n2c(N1)nc(n2)SCc1ccccc1)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6964 |
| logD: | 3.5955 |
| logSw: | -3.8843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.89 |
| InChI Key: | PXTUVJXOWALWBT-FQEVSTJZSA-N |