2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0491 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C23 H24 Cl N5 O4 S |
| Smiles: | [H]N([H])C(C1C(c2cc(c(c(c2)OC)OC)OC)n2c(NC=1C)nc(n2)SCc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7465 |
| logD: | 3.7449 |
| logSw: | -4.1322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.536 |
| InChI Key: | AHTUMCIICJUBMN-IBGZPJMESA-N |