(14E)-11-(2,4-dichlorophenyl)-14-[(2-iodophenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Formula:C27H17N2OCl2IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(14E)-11-(2,4-dichlorophenyl)-14-[(2-iodophenyl)methylidene]-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)-11-(2,4-dichlorophenyl)-14-[(2-iodophenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one |
| MolecularFormula | C27H17N2OCl2IS |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2I)N2C1=NC(c1c(CC3)cccc1)=C3C2c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C27H17Cl2IN2OS/c28-17-10-12-19(21(29)14-17)25-20-11-9-15-5-1-3-7-18(15)24(20)31-27-32(25)26(33)23(34-27)13-16-6-2-4-8-22(16)30/h1-8,10,12-14,25H,9,11H2/t25-/m1/s1 |
| InChIK | BJFVQOCJIQXHNS-RUZDIDTESA-N |
| TotalMolweight | 615.317 |
| Molweight | 615.317 |
| MonoisotopicMass | 613.948335 |
| CLogP | 7.4565 |
| CLogS | -8.594 |
| H Acceptors | 3 |
| TotalSurfaceArea | 365.56 |
| Relative PSA | 0.12471 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.5614 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14E)-11-(2,4-dichlorophenyl)-14-[(2-iodophenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one | 2 - (14E)-11-(2,4-dichlorophenyl)-14-[(2-iodophenyl)methylidene]-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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