(5Z)-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
Formula:C34H22N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one |
| MolecularFormula | C34H22N4O2S |
| Smiles | O=C(c(cc1)ccc1N(C1=O)C(c2ccccc2)=N/C1=C\c1ncccc1)N1c(cccc2)c2Sc2c1cccc2 |
| InChI | InChI=1S/C34H22N4O2S/c39-33(38-28-13-4-6-15-30(28)41-31-16-7-5-14-29(31)38)24-17-19-26(20-18-24)37-32(23-10-2-1-3-11-23)36-27(34(37)40)22-25-12-8-9-21-35-25/h1-22H |
| InChIK | BIVRGAVPTIOUBU-UHFFFAOYSA-N |
| TotalMolweight | 550.641 |
| Molweight | 550.641 |
| MonoisotopicMass | 550.146346 |
| CLogP | 6.9371 |
| CLogS | -8.703 |
| H Acceptors | 6 |
| TotalSurfaceArea | 405.33 |
| Relative PSA | 0.18047 |
| PolarSurfaceArea | 91.17 |
| Druglikeness | 3.3509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43902 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one | 2 - (5Z)-3-[4-(phenothiazine-10-carbonyl)phenyl]-2-phenyl-5-(pyridin-2-ylmethylidene)imidazol-4-one
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