N-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0222 |
| Compound Name: | N-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 562.09 |
| Molecular Formula: | C29 H28 Cl N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OC)n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4683 |
| logD: | 6.4678 |
| logSw: | -6.4003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.852 |
| InChI Key: | OQWXPEWJVKDVNG-SANMLTNESA-N |