2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7634 |
| Compound Name: | 2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 515.97 |
| Molecular Formula: | C23 H22 Cl N5 O5 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(N1)nc(n2)SCc1ccccc1[Cl])C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5541 |
| logD: | 4.4531 |
| logSw: | -4.6614 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.271 |
| InChI Key: | DDPJWABZPLDVCX-FQEVSTJZSA-N |