2,3,3-trichloroprop-2-en-1-yl 6-[(2,4-dimethoxypyrimidin-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
Chemical Structure Depiction of
2,3,3-trichloroprop-2-en-1-yl 6-[(2,4-dimethoxypyrimidin-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
2,3,3-trichloroprop-2-en-1-yl 6-[(2,4-dimethoxypyrimidin-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate
Compound characteristics
Compound ID: | 8009-4419 |
Compound Name: | 2,3,3-trichloroprop-2-en-1-yl 6-[(2,4-dimethoxypyrimidin-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate |
Molecular Weight: | 450.7 |
Molecular Formula: | C17 H18 Cl3 N3 O5 |
Smiles: | COc1c(cnc(n1)OC)NC(C1CC=CCC1C(=O)OCC(=C([Cl])[Cl])[Cl])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.1572 |
logD: | 4.1428 |
logSw: | -4.4821 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.692 |
InChI Key: | CFGKQALGGWPGAV-UHFFFAOYSA-N |