ethyl 4,5-dimethyl-2-(2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-(2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-(2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4004 |
| Compound Name: | ethyl 4,5-dimethyl-2-(2-{[5-(4-methylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 553.72 |
| Molecular Formula: | C27 H27 N3 O4 S3 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSC1=Nc2c(C(N1CC=C)=O)c(cs2)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9644 |
| logD: | 4.0929 |
| logSw: | -5.568 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.349 |
| InChI Key: | KKQRBXRWVCLQKE-UHFFFAOYSA-N |