(14E)-14-[(4-hydroxyphenyl)methylidene]-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:C25H18N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(14E)-14-[(4-hydroxyphenyl)methylidene]-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 | (14E)-14-[(4-hydroxyphenyl)methylidene]-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 | C25H18N2O2S2 |
| Smiles | Oc1ccc(/C=C2/SC3=NC(c4c(CC5)cccc4)=C5C(c4cccs4)N3C2=O)cc1 |
| InChI | InChI=1S/C25H18N2O2S2/c28-17-10-7-15(8-11-17)14-21-24(29)27-23(20-6-3-13-30-20)19-12-9-16-4-1-2-5-18(16)22(19)26-25(27)31-21/h1-8,10-11,13-14,23,28H,9,12H2/t23-/m0/s1 |
| InChIK | AIJLNCVELMDHTM-QHCPKHFHSA-N |
| TotalMolweight | 442.562 |
| Molweight | 442.562 |
| MonoisotopicMass | 442.080968 |
| CLogP | 5.3283 |
| CLogS | -5.82 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.73 |
| Relative PSA | 0.2544 |
| PolarSurfaceArea | 106.44 |
| Druglikeness | 3.59 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14E)-14-[(4-hydroxyphenyl)methylidene]-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 - (14E)-14-[(4-hydroxyphenyl)methylidene]-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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