2-fluoro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
Formula:C21H19N4O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-fluoro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-fluoro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C21H19N4O2FS |
| Smiles | O=C(c(cccc1)c1F)N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1 |
| InChI | InChI=1S/C21H19FN4O2S/c22-17-9-5-4-8-16(17)20(27)25-23-14-18-19(15-6-2-1-3-7-15)24-21(29-18)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,25,27) |
| InChIK | MMYKEPYJVYXYNX-UHFFFAOYSA-N |
| TotalMolweight | 410.472 |
| Molweight | 410.472 |
| MonoisotopicMass | 410.121274 |
| CLogP | 4.4291 |
| CLogS | -5.759 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 309.64 |
| Relative PSA | 0.26124 |
| PolarSurfaceArea | 95.06 |
| Druglikeness | 4.8257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-fluoro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide | 2 - 2-fluoro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
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