2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C23H20N4O2S3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C23H20N4O2S3 |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C23H20N4O2S3/c28-19(26-24-13-16-9-6-12-30-16)14-31-23-25-21-20(17-10-4-5-11-18(17)32-21)22(29)27(23)15-7-2-1-3-8-15/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,26,28) |
| InChIK | YPRYPTLRQNADKM-UHFFFAOYSA-N |
| TotalMolweight | 480.636 |
| Molweight | 480.636 |
| MonoisotopicMass | 480.074836 |
| CLogP | 5.2901 |
| CLogS | -7.387 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 348.94 |
| Relative PSA | 0.35055 |
| PolarSurfaceArea | 155.91 |
| Druglikeness | 2.9954 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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