2-{[(2,4-dimethylphenyl)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-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2,4-dimethylphenyl)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: | 2969-0363 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 396.57 |
| Molecular Formula: | C22 H24 N2 O S2 |
| Smiles: | Cc1ccc(CSC2=Nc3c(C(N2CC=C)=O)c2CCCCc2s3)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0704 |
| logD: | 6.0704 |
| logSw: | -5.3599 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.8438 |
| InChI Key: | MFNZTBWXRGIBAL-UHFFFAOYSA-N |