N-[(Z)-thiophen-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
Formula:C15H8N4F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine |
| MolecularFormula | C15H8N4F6S |
| Smiles | FC(c1c(ccc(N/N=C\c2cccs2)n2)c2nc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C15H8F6N4S/c16-14(17,18)10-6-11(15(19,20)21)23-13-9(10)3-4-12(24-13)25-22-7-8-2-1-5-26-8/h1-7H,(H,23,24,25) |
| InChIK | ARCYQOATYCXIRG-UHFFFAOYSA-N |
| TotalMolweight | 390.311 |
| Molweight | 390.311 |
| MonoisotopicMass | 390.037384 |
| CLogP | 6.4075 |
| CLogS | -6.02 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.22 |
| Relative PSA | 0.25474 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -3.0852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-thiophen-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine | 2 - N-[(Z)-thiophen-2-ylmethylideneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
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