2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4112-0832 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 400.49 |
| Molecular Formula: | C20 H17 F N2 O2 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCc1s2)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1257 |
| logD: | 4.1257 |
| logSw: | -4.5211 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.457 |
| InChI Key: | YNOYXGBHRIRSOU-UHFFFAOYSA-N |