2-{[(3,4-dichlorophenyl)methyl]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-{[(3,4-dichlorophenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(3,4-dichlorophenyl)methyl]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: | 3683-0282 |
| Compound Name: | 2-{[(3,4-dichlorophenyl)methyl]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: | 423.38 |
| Molecular Formula: | C19 H16 Cl2 N2 O S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCc1s2)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8886 |
| logD: | 5.8886 |
| logSw: | -6.4956 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.2098 |
| InChI Key: | IEEAWIMHXUFSDZ-UHFFFAOYSA-N |