(14E)-14-(pyridin-4-ylmethylidene)-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:C24H17N3OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(14E)-14-(pyridin-4-ylmethylidene)-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 a drug-like molecule.
| MolName | (14E)-14-(pyridin-4-ylmethylidene)-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 | C24H17N3OS2 |
| Smiles | O=C(/C(/S1)=C\c2ccncc2)N2C1=NC(c1c(CC3)cccc1)=C3C2c1cccs1 |
| InChI | InChI=1S/C24H17N3OS2/c28-23-20(14-15-9-11-25-12-10-15)30-24-26-21-17-5-2-1-4-16(17)7-8-18(21)22(27(23)24)19-6-3-13-29-19/h1-6,9-14,22H,7-8H2/t22-/m0/s1 |
| InChIK | ATXHTPXZIHDDQC-QFIPXVFZSA-N |
| TotalMolweight | 427.551 |
| Molweight | 427.551 |
| MonoisotopicMass | 427.081302 |
| CLogP | 4.6731 |
| CLogS | -5.321 |
| H Acceptors | 4 |
| TotalSurfaceArea | 303.14 |
| Relative PSA | 0.25374 |
| PolarSurfaceArea | 99.1 |
| Druglikeness | 3.5817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (14E)-14-(pyridin-4-ylmethylidene)-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-(pyridin-4-ylmethylidene)-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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