3-{3-[benzyl(methyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{3-[benzyl(methyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
3-{3-[benzyl(methyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K263-0149 |
| Compound Name: | 3-{3-[benzyl(methyl)amino]propyl}-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C21 H21 N3 O S2 |
| Smiles: | CN(CCCN1C(c2c(c3ccccc3s2)NC1=S)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8765 |
| logD: | 2.5776 |
| logSw: | -3.9282 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.8852 |
| InChI Key: | BMCLUXRZYJYXDV-UHFFFAOYSA-N |