2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0487 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 453.99 |
| Molecular Formula: | C23 H24 Cl N5 O S |
| Smiles: | [H]N([H])C(C1C(c2ccc(cc2)C(C)C)n2c(NC=1C)nc(n2)SCc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3548 |
| logD: | 5.3532 |
| logSw: | -5.8889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.558 |
| InChI Key: | XKIDVRCDCSJOGW-FQEVSTJZSA-N |