2-(benzylsulfanyl)-7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0379 |
| Compound Name: | 2-(benzylsulfanyl)-7-(3,4-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C28 H27 N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OC)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7577 |
| logD: | 4.7572 |
| logSw: | -4.6111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.852 |
| InChI Key: | ZBYVGTALOQPYDZ-VWLOTQADSA-N |