ethyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
ethyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3683-0033 |
| Compound Name: | ethyl {[7-tert-butyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 470.65 |
| Molecular Formula: | C25 H30 N2 O3 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CCC(Cc1s2)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2141 |
| logD: | 6.2141 |
| logSw: | -5.4707 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.413 |
| InChI Key: | RCNFQGBESHIIIT-MRXNPFEDSA-N |