ethyl 4-(4-methoxyphenyl)-2-(2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-methoxyphenyl)-2-(2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
ethyl 4-(4-methoxyphenyl)-2-(2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3993-2907 |
| Compound Name: | ethyl 4-(4-methoxyphenyl)-2-(2-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 609.79 |
| Molecular Formula: | C30 H31 N3 O5 S3 |
| Smiles: | CCOC(c1c(csc1NC(CSC1=Nc2c(C(N1CC=C)=O)c1CCC(C)Cc1s2)=O)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4149 |
| logD: | 6.408 |
| logSw: | -5.762 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.813 |
| InChI Key: | BFPPSYYVZSMNFP-QGZVFWFLSA-N |