3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula:C24H21N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is not a drug-like molecule.
| MolName | 3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| MolecularFormula | C24H21N4OClS |
| Smiles | O=C1N(Cc2ccccc2)C(N/N=C\c(cc2)ccc2Cl)=Nc2c1c(CCCC1)c1s2 |
| InChI | InChI=1S/C24H21ClN4OS/c25-18-12-10-16(11-13-18)14-26-28-24-27-22-21(19-8-4-5-9-20(19)31-22)23(30)29(24)15-17-6-2-1-3-7-17/h1-3,6-7,10-14H,4-5,8-9,15H2,(H,27,28) |
| InChIK | VEMMUFPKBXYMHM-UHFFFAOYSA-N |
| TotalMolweight | 448.977 |
| Molweight | 448.977 |
| MonoisotopicMass | 448.112458 |
| CLogP | 6.0808 |
| CLogS | -7.263 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 333.18 |
| Relative PSA | 0.21439 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 2.5338 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-benzyl-2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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