3-{3-[ethyl(3-methylphenyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{3-[ethyl(3-methylphenyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-{3-[ethyl(3-methylphenyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0150 |
| Compound Name: | 3-{3-[ethyl(3-methylphenyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C22 H23 N3 O S2 |
| Smiles: | CCN(CCCN1C(c2c(c3ccccc3s2)NC1=S)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.134 |
| logD: | 5.1132 |
| logSw: | -5.15 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.7809 |
| InChI Key: | LVLAUKIHWAUZFX-UHFFFAOYSA-N |