2-(benzylsulfanyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0365 |
| Compound Name: | 2-(benzylsulfanyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | [H]N([H])C(C1C(c2cccc(c2)OC)n2c(NC=1C)nc(n2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1006 |
| logD: | 3.099 |
| logSw: | -3.4117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.102 |
| InChI Key: | OTSUXBJAOFYNKG-SFHVURJKSA-N |