3-(3,4-dichlorophenyl)-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
3-(3,4-dichlorophenyl)-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K292-2112 |
| Compound Name: | 3-(3,4-dichlorophenyl)-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 329.22 |
| Molecular Formula: | C12 H6 Cl2 N2 O S2 |
| Smiles: | c1cc(c(cc1N1C(c2c(ccs2)NC1=S)=O)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0042 |
| logD: | 3.9766 |
| logSw: | -4.3473 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7248 |
| InChI Key: | KPPOMEKFRMJMQM-UHFFFAOYSA-N |