N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Formula:C25H21N4O2FS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| MolecularFormula | C25H21N4O2FS2 |
| Smiles | O=C(CSC(N1c2ccccc2)=Nc(sc2c3CCCC2)c3C1=O)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C25H21FN4O2S2/c26-17-8-6-7-16(13-17)14-27-29-21(31)15-33-25-28-23-22(19-11-4-5-12-20(19)34-23)24(32)30(25)18-9-2-1-3-10-18/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,29,31) |
| InChIK | YYXSGRCLVTZOST-UHFFFAOYSA-N |
| TotalMolweight | 492.598 |
| Molweight | 492.598 |
| MonoisotopicMass | 492.108994 |
| CLogP | 5.5243 |
| CLogS | -7.691 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.35 |
| Relative PSA | 0.28373 |
| PolarSurfaceArea | 127.67 |
| Druglikeness | 1.123 |
| 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 | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide | 2 - N-[(Z)-(3-fluorophenyl)methylideneamino]-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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