7-(3-bromophenyl)-N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3-bromophenyl)-N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3-bromophenyl)-N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-0905 |
| Compound Name: | 7-(3-bromophenyl)-N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 580.93 |
| Molecular Formula: | C27 H23 Br Cl N5 O S |
| Smiles: | CC1=C(C(c2cccc(c2)[Br])n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.652 |
| logD: | 7.6515 |
| logSw: | -6.3956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | PKGHXJAUPLDGKI-DEOSSOPVSA-N |