N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
Formula:C16H10N4O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C16H10N4O2ClFS |
| Smiles | O=C(c1cccs1)N/N=C\c1cccc(Oc(nc(nc2)Cl)c2F)c1 |
| InChI | InChI=1S/C16H10ClFN4O2S/c17-16-19-9-12(18)15(21-16)24-11-4-1-3-10(7-11)8-20-22-14(23)13-5-2-6-25-13/h1-9H,(H,22,23) |
| InChIK | UFBIUYLWHRKNAB-UHFFFAOYSA-N |
| TotalMolweight | 376.798 |
| Molweight | 376.798 |
| MonoisotopicMass | 376.019701 |
| CLogP | 4.2009 |
| CLogS | -6.368 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.98 |
| Relative PSA | 0.32469 |
| PolarSurfaceArea | 104.71 |
| Druglikeness | 4.8032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide | 2 - N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
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