N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0160 |
| Compound Name: | N-(4-chlorophenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 508.06 |
| Molecular Formula: | C25 H22 Cl N5 O S2 |
| Smiles: | CC1=C(C(c2cccs2)n2c(N1)nc(n2)SCc1cccc(C)c1)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4299 |
| logD: | 6.4292 |
| logSw: | -6.2237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.609 |
| InChI Key: | NYMYVFXOMZLIKL-QFIPXVFZSA-N |