ethyl 7-(4-bromophenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-bromophenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-bromophenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1163 |
| Compound Name: | ethyl 7-(4-bromophenyl)-5-methyl-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C21 H20 Br N5 O2 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])n2c(NC=1C)nc(n2)SCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4382 |
| logD: | 4.1431 |
| logSw: | -3.9821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.771 |
| InChI Key: | FKWFPVGHQAGHFW-SFHVURJKSA-N |