2-[(2Z)-2-benzylidenehydrazinyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula:C23H20N4OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-benzylidenehydrazinyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is not a drug-like molecule.
| MolName | 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| MolecularFormula | C23H20N4OS |
| Smiles | O=C1N(c2ccccc2)C(N/N=C\c2ccccc2)=Nc2c1c(CCCC1)c1s2 |
| InChI | InChI=1S/C23H20N4OS/c28-22-20-18-13-7-8-14-19(18)29-21(20)25-23(27(22)17-11-5-2-6-12-17)26-24-15-16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2,(H,25,26) |
| InChIK | SWTLRNFMPCBVLG-UHFFFAOYSA-N |
| TotalMolweight | 400.505 |
| Molweight | 400.505 |
| MonoisotopicMass | 400.135781 |
| CLogP | 5.5519 |
| CLogS | -7.049 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 304 |
| Relative PSA | 0.23497 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 1.5838 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 2-[(2Z)-2-benzylidenehydrazinyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off