(14E)-11-phenyl-14-(pyridin-4-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Formula:C26H19N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(14E)-11-phenyl-14-(pyridin-4-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one is a drug-like molecule.
| MolName | (14E)-11-phenyl-14-(pyridin-4-ylmethylidene)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one |
| MolecularFormula | C26H19N3OS |
| Smiles | O=C(/C(/S1)=C\c2ccncc2)N2C1=NC(c1c(CC3)cccc1)=C3C2c1ccccc1 |
| InChI | InChI=1S/C26H19N3OS/c30-25-22(16-17-12-14-27-15-13-17)31-26-28-23-20-9-5-4-6-18(20)10-11-21(23)24(29(25)26)19-7-2-1-3-8-19/h1-9,12-16,24H,10-11H2/t24-/m0/s1 |
| InChIK | KEWZLTDGNQVGHX-DEOSSOPVSA-N |
| TotalMolweight | 421.523 |
| Molweight | 421.523 |
| MonoisotopicMass | 421.124882 |
| CLogP | 4.8065 |
| CLogS | -5.311 |
| H Acceptors | 4 |
| TotalSurfaceArea | 307.2 |
| Relative PSA | 0.18411 |
| PolarSurfaceArea | 70.86 |
| Druglikeness | 3.0656 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14E)-11-phenyl-14-(pyridin-4-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-phenyl-14-(pyridin-4-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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