2-cyanoethyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-cyanoethyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-cyanoethyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8008-9898 |
| Compound Name: | 2-cyanoethyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C21 H19 N3 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)Oc2ccccc2)NC(N1)=O)C(=O)OCCC#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3432 |
| logD: | 2.193 |
| logSw: | -3.0075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.979 |
| InChI Key: | ZICPYIGNFGQQGJ-LJQANCHMSA-N |