2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 5055-6941 |
| Compound Name: | 2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 417.59 |
| Molecular Formula: | C21 H27 N3 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2c(C(N1CC=C)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9729 |
| logD: | 3.9729 |
| logSw: | -4.0673 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.236 |
| InChI Key: | LTUBNVQHVAKTGT-UHFFFAOYSA-N |