ethyl 5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1441 |
| Compound Name: | ethyl 5-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C20 H19 N5 O4 S2 |
| Smiles: | CCOC(C1C(c2cccs2)n2c(NC=1C)nc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1662 |
| logD: | 4.0289 |
| logSw: | -4.0849 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.653 |
| InChI Key: | BDMAUEPSNFHKEW-KRWDZBQOSA-N |