ethyl 1,6-dimethyl-4-[3-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1,6-dimethyl-4-[3-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1,6-dimethyl-4-[3-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-2900 |
| Compound Name: | ethyl 1,6-dimethyl-4-[3-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C24 H25 N3 O3 S |
| Smiles: | CCOC(C1C(c2cccc(c2)NC(/C=C/c2ccccc2)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1815 |
| logD: | 4.1812 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.144 |
| InChI Key: | KEFYLLMDRJMPKC-JOCHJYFZSA-N |