2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula:C23H25N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| MolecularFormula | C23H25N4OClS |
| Smiles | O=C1N(C2CCCCC2)C(N/N=C\c(cc2)ccc2Cl)=Nc2c1c(CCCC1)c1s2 |
| InChI | InChI=1S/C23H25ClN4OS/c24-16-12-10-15(11-13-16)14-25-27-23-26-21-20(18-8-4-5-9-19(18)30-21)22(29)28(23)17-6-2-1-3-7-17/h10-14,17H,1-9H2,(H,26,27) |
| InChIK | NNIKZWXCCWWWAT-UHFFFAOYSA-N |
| TotalMolweight | 440.998 |
| Molweight | 440.998 |
| MonoisotopicMass | 440.143758 |
| CLogP | 6.2184 |
| CLogS | -7.514 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 327.46 |
| Relative PSA | 0.21813 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 1.5597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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