3-{[(2,4-dichlorophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{[(2,4-dichlorophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-{[(2,4-dichlorophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K018-0090 |
| Compound Name: | 3-{[(2,4-dichlorophenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 378.28 |
| Molecular Formula: | C17 H13 Cl2 N3 O S |
| Smiles: | C1CCc2c(C1)c1C(N(C=Nc1s2)/N=C/c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.946 |
| logD: | 4.9451 |
| logSw: | -5.2436 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.037 |
| InChI Key: | JMDZKJKGTVULNC-UHFFFAOYSA-N |