propan-2-yl 1-ethyl-6-methyl-4-[4-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-6-methyl-4-[4-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-6-methyl-4-[4-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-6153 |
| Compound Name: | propan-2-yl 1-ethyl-6-methyl-4-[4-(3-phenylprop-2-enamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(/C=C/c2ccccc2)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9442 |
| logD: | 4.9438 |
| logSw: | -4.4719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.782 |
| InChI Key: | QXUUEIBMOWFVPK-XMMPIXPASA-N |