N'-thieno[2,3-d]pyrimidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide
Formula:C15H11N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-thieno[2,3-d]pyrimidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide is a drug-like molecule.
| MolName | N'-thieno[2,3-d]pyrimidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methoxy]methanimidamide |
| MolecularFormula | C15H11N4OF3S |
| Smiles | FC(c1cccc(CON/C=N\c2c(ccs3)c3ncn2)c1)(F)F |
| InChI | InChI=1S/C15H11F3N4OS/c16-15(17,18)11-3-1-2-10(6-11)7-23-22-9-20-13-12-4-5-24-14(12)21-8-19-13/h1-6,8-9H,7H2,(H,19,20,21,22) |
| InChIK | KPJTZVWCZJZTNQ-UHFFFAOYSA-N |
| TotalMolweight | 352.339 |
| Molweight | 352.339 |
| MonoisotopicMass | 352.060565 |
| CLogP | 2.5495 |
| CLogS | -5.713 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.52 |
| Relative PSA | 0.30046 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -6.9575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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