4-chlorobutyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
4-chlorobutyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4-chlorobutyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0262 |
| Compound Name: | 4-chlorobutyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 445.7 |
| Molecular Formula: | C17 H18 Br Cl N2 O5 |
| Smiles: | CC1=C(C(c2cc3c(cc2[Br])OCO3)NC(N1)=O)C(=O)OCCCC[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7705 |
| logD: | 2.662 |
| logSw: | -3.0306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.855 |
| InChI Key: | CVKINSILOIHDDN-HNNXBMFYSA-N |