2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-3754 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-(3-methoxyphenyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 518.04 |
| Molecular Formula: | C27 H24 Cl N5 O2 S |
| Smiles: | CC1=C(C(c2ccccc2)n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])C(Nc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9523 |
| logD: | 5.9518 |
| logSw: | -6.1067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.134 |
| InChI Key: | DEQXPXMKGHFYBD-DEOSSOPVSA-N |