ethyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
ethyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3473-0197 |
| Compound Name: | ethyl {[3-(4-methylphenyl)-4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C22 H24 N2 O3 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CCCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1528 |
| logD: | 5.1528 |
| logSw: | -4.8405 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.744 |
| InChI Key: | DLZQMZYOTBFXBG-UHFFFAOYSA-N |