N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Formula:C26H22N5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C26H22N5FS |
| Smiles | Fc1ccc(Cn2c(cccc3)c3c(/C=N\Nc3c(c(CCCC4)c4s4)c4ncn3)c2)cc1 |
| InChI | InChI=1S/C26H22FN5S/c27-19-11-9-17(10-12-19)14-32-15-18(20-5-1-3-7-22(20)32)13-30-31-25-24-21-6-2-4-8-23(21)33-26(24)29-16-28-25/h1,3,5,7,9-13,15-16H,2,4,6,8,14H2,(H,28,29,31) |
| InChIK | OPIAAXBOTBCCCF-UHFFFAOYSA-N |
| TotalMolweight | 455.56 |
| Molweight | 455.56 |
| MonoisotopicMass | 455.157993 |
| CLogP | 7.534 |
| CLogS | -7.13 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 342.51 |
| Relative PSA | 0.21062 |
| PolarSurfaceArea | 83.34 |
| Druglikeness | -1.1424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
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