3-[({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0029 |
| Compound Name: | 3-[({4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C26 H22 Cl N5 O S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1ccc(cc1)N1CCC(c2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4602 |
| logD: | 5.4472 |
| logSw: | -6.5511 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.001 |
| InChI Key: | HKMSPWJCXXEETQ-UHFFFAOYSA-N |