2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3350-0175 |
| Compound Name: | 2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C18 H18 N2 O2 S2 |
| Smiles: | Cc1ccc(cc1C)C(CSC1NC(c2c(C)c(C)sc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4803 |
| logD: | 4.4611 |
| logSw: | -4.4032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.65 |
| InChI Key: | XDYJMMBDXCGLAN-UHFFFAOYSA-N |