(14E)-11-(2-chlorophenyl)-14-(pyridin-3-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Formula:C26H18N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(14E)-11-(2-chlorophenyl)-14-(pyridin-3-ylmethylidene)-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-chlorophenyl)-14-(pyridin-3-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one |
| MolecularFormula | C26H18N3OClS |
| Smiles | O=C(/C(/S1)=C\c2cnccc2)N2C1=NC(c1c(CC3)cccc1)=C3C2c(cccc1)c1Cl |
| InChI | InChI=1S/C26H18ClN3OS/c27-21-10-4-3-9-19(21)24-20-12-11-17-7-1-2-8-18(17)23(20)29-26-30(24)25(31)22(32-26)14-16-6-5-13-28-15-16/h1-10,13-15,24H,11-12H2/t24-/m1/s1 |
| InChIK | PAZFMCSORGMFAB-XMMPIXPASA-N |
| TotalMolweight | 455.968 |
| Molweight | 455.968 |
| MonoisotopicMass | 455.085909 |
| CLogP | 5.4125 |
| CLogS | -6.047 |
| H Acceptors | 4 |
| TotalSurfaceArea | 322.62 |
| Relative PSA | 0.17531 |
| PolarSurfaceArea | 70.86 |
| Druglikeness | 3.1151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14E)-11-(2-chlorophenyl)-14-(pyridin-3-ylmethylidene)-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-chlorophenyl)-14-(pyridin-3-ylmethylidene)-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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