(14E)-14-[(4-hydroxyphenyl)methylidene]-11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Formula:C27H20N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(14E)-14-[(4-hydroxyphenyl)methylidene]-11-phenyl-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-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one |
| MolecularFormula | C27H20N2O2S |
| Smiles | Oc1ccc(/C=C2/SC3=NC(c4c(CC5)cccc4)=C5C(c4ccccc4)N3C2=O)cc1 |
| InChI | InChI=1S/C27H20N2O2S/c30-20-13-10-17(11-14-20)16-23-26(31)29-25(19-7-2-1-3-8-19)22-15-12-18-6-4-5-9-21(18)24(22)28-27(29)32-23/h1-11,13-14,16,25,30H,12,15H2/t25-/m0/s1 |
| InChIK | VVCACAJMACBKAV-VWLOTQADSA-N |
| TotalMolweight | 436.534 |
| Molweight | 436.534 |
| MonoisotopicMass | 436.124548 |
| CLogP | 5.4617 |
| CLogS | -5.81 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.79 |
| Relative PSA | 0.18644 |
| PolarSurfaceArea | 78.2 |
| Druglikeness | 3.0733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14E)-14-[(4-hydroxyphenyl)methylidene]-11-phenyl-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-phenyl-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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