N-[(Z)-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C23H15N3O2ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C23H15N3O2ClF3S |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(c1ccccc1cc1)c1OCc(s1)cnc1Cl |
| InChI | InChI=1S/C23H15ClF3N3O2S/c24-22-28-11-17(33-22)13-32-20-10-7-14-3-1-2-4-18(14)19(20)12-29-30-21(31)15-5-8-16(9-6-15)23(25,26)27/h1-12H,13H2,(H,30,31) |
| InChIK | FHIXDNZKJYBIAL-UHFFFAOYSA-N |
| TotalMolweight | 489.904 |
| Molweight | 489.904 |
| MonoisotopicMass | 489.052558 |
| CLogP | 6.6054 |
| CLogS | -7.894 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 344.69 |
| Relative PSA | 0.22438 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | -2.0953 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)benzamide | 2 - N-[(Z)-[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)benzamide
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