2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2768 |
| Compound Name: | 2-{[(3-fluorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 591.66 |
| Molecular Formula: | C30 H30 F N5 O5 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)OC)OC)OC)n2c(N1)nc(n2)SCc1cccc(c1)F)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3988 |
| logD: | 5.3982 |
| logSw: | -5.4419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.112 |
| InChI Key: | WEWNNZGUTHLLCC-SANMLTNESA-N |