prop-2-en-1-yl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-7641 |
| Compound Name: | prop-2-en-1-yl 2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C19 H19 N5 O6 S |
| Smiles: | CC1=C(C(c2ccccc2[N+]([O-])=O)n2c(N1)nc(n2)SCC(=O)OC)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7347 |
| logD: | 2.6761 |
| logSw: | -3.3022 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.478 |
| InChI Key: | KCMGSEWCCJOALS-INIZCTEOSA-N |