(14Z)-14-benzylidene-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Formula:C25H18N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(14Z)-14-benzylidene-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is not a drug-like molecule.
| MolName | (14Z)-14-benzylidene-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one |
| MolecularFormula | C25H18N2OS2 |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1 |
| InChI | InChI=1S/C25H18N2OS2/c28-24-21(15-16-7-2-1-3-8-16)30-25-26-22-18-10-5-4-9-17(18)12-13-19(22)23(27(24)25)20-11-6-14-29-20/h1-11,14-15,23H,12-13H2/t23-/m0/s1 |
| InChIK | FJBULQUYGRYXAI-QHCPKHFHSA-N |
| TotalMolweight | 426.563 |
| Molweight | 426.563 |
| MonoisotopicMass | 426.086053 |
| CLogP | 5.674 |
| CLogS | -6.116 |
| H Acceptors | 3 |
| TotalSurfaceArea | 304.38 |
| Relative PSA | 0.21667 |
| PolarSurfaceArea | 86.21 |
| Druglikeness | 3.5817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14Z)-14-benzylidene-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one | 2 - (14Z)-14-benzylidene-11-thiophen-2-yl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
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