2-cyanoethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-cyanoethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-cyanoethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2251-3113 |
| Compound Name: | 2-cyanoethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C18 H21 N3 O6 |
| Smiles: | CC1=C(C(c2cc(c(c(c2)OC)OC)OC)NC(N1)=O)C(=O)OCCC#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4303 |
| logD: | 0.2801 |
| logSw: | -1.8857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.209 |
| InChI Key: | JWFAVROYPZRFRT-OAHLLOKOSA-N |