2-{[(4-chlorophenyl)methyl]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-{[(4-chlorophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(4-chlorophenyl)methyl]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: | 4408-0022 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 402.96 |
| Molecular Formula: | C20 H19 Cl N2 O S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2989 |
| logD: | 5.2989 |
| logSw: | -6.2453 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8438 |
| InChI Key: | ZZBLITXNMWDFKE-UHFFFAOYSA-N |