N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C19H13N3O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C19H13N3O2ClF3S |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(cc1)ccc1OCc(s1)cnc1Cl |
| InChI | InChI=1S/C19H13ClF3N3O2S/c20-18-24-10-16(29-18)11-28-15-7-1-12(2-8-15)9-25-26-17(27)13-3-5-14(6-4-13)19(21,22)23/h1-10H,11H2,(H,26,27) |
| InChIK | XTGGZSUMFOVIBF-UHFFFAOYSA-N |
| TotalMolweight | 439.844 |
| Molweight | 439.844 |
| MonoisotopicMass | 439.036908 |
| CLogP | 5.411 |
| CLogS | -6.288 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.09 |
| Relative PSA | 0.24941 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | -2.0953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)benzamide | 2 - N-[(Z)-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylideneamino]-4-(trifluoromethyl)benzamide
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