2-cyanoethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-cyanoethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-cyanoethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2251-3055 |
| Compound Name: | 2-cyanoethyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 315.33 |
| Molecular Formula: | C16 H17 N3 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)OC)NC(N1)=O)C(=O)OCCC#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7207 |
| logD: | 0.5704 |
| logSw: | -1.9548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.775 |
| InChI Key: | NEHQOVVRJBNMBR-CQSZACIVSA-N |