ethyl 4,5-dimethyl-2-(2-{[4-oxo-5-phenyl-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-{[4-oxo-5-phenyl-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-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4148 |
| Compound Name: | ethyl 4,5-dimethyl-2-(2-{[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 539.69 |
| Molecular Formula: | C26 H25 N3 O4 S3 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSC1=Nc2c(C(N1CC=C)=O)c(cs2)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4359 |
| logD: | 3.5644 |
| logSw: | -5.4587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.349 |
| InChI Key: | NGXPUPYJKQNTAE-UHFFFAOYSA-N |