3-[3-(4-methylpiperidin-1-yl)propyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-[3-(4-methylpiperidin-1-yl)propyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1)
3-[3-(4-methylpiperidin-1-yl)propyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | K263-0190 |
Compound Name: | 3-[3-(4-methylpiperidin-1-yl)propyl]-8-nitro-2-sulfanylidene-2,3-dihydro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one--hydrogen chloride (1/1) |
Molecular Weight: | 455 |
Molecular Formula: | C19 H22 N4 O3 S2 |
Salt: | HCl |
Smiles: | CC1CCN(CCCN2C(c3c(c4cc(ccc4s3)[N+]([O-])=O)NC2=S)=O)CC1 |
Stereo: | ACHIRAL |
logP: | 3.6409 |
logD: | 1.3287 |
logSw: | -3.8856 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.155 |
InChI Key: | DLHKKJFAFMGEFA-UHFFFAOYSA-N |