ethyl 4-(4-methylphenyl)-2-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-methylphenyl)-2-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
ethyl 4-(4-methylphenyl)-2-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4116 |
| Compound Name: | ethyl 4-(4-methylphenyl)-2-(2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 565.73 |
| Molecular Formula: | C28 H27 N3 O4 S3 |
| Smiles: | CCOC(c1c(csc1NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCCc1s2)=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0117 |
| logD: | 6.0048 |
| logSw: | -5.4372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.636 |
| InChI Key: | AADYFHUHTDEAFF-UHFFFAOYSA-N |