2-cyanoethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-cyanoethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-cyanoethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8008-6149 |
| Compound Name: | 2-cyanoethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 408.21 |
| Molecular Formula: | C16 H14 Br N3 O5 |
| Smiles: | CC1=C(C(c2cc3c(cc2[Br])OCO3)NC(N1)=O)C(=O)OCCC#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0822 |
| logD: | 0.9737 |
| logSw: | -2.0993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.347 |
| InChI Key: | VQNGWPBHDPVEJY-AWEZNQCLSA-N |