3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula:C24H22N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]-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-benzylidenehydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| MolecularFormula | C24H22N4OS |
| Smiles | O=C1N(Cc2ccccc2)C(N/N=C\c2ccccc2)=Nc2c1c(CCCC1)c1s2 |
| InChI | InChI=1S/C24H22N4OS/c29-23-21-19-13-7-8-14-20(19)30-22(21)26-24(27-25-15-17-9-3-1-4-10-17)28(23)16-18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2,(H,26,27) |
| InChIK | RUQUGNXUVUTRMX-UHFFFAOYSA-N |
| TotalMolweight | 414.532 |
| Molweight | 414.532 |
| MonoisotopicMass | 414.151431 |
| CLogP | 5.4748 |
| CLogS | -6.527 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.76 |
| Relative PSA | 0.22479 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 2.5082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-benzylidenehydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-benzyl-2-[(2Z)-2-benzylidenehydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
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