N-[(3-chloro-2-fluorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide
Formula:C14H10N4OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(3-chloro-2-fluorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide is a drug-like molecule.
| MolName | N-[(3-chloro-2-fluorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide |
| MolecularFormula | C14H10N4OClFS |
| Smiles | Fc(c(CON/C=N\c1ncnc2c1ccs2)ccc1)c1Cl |
| InChI | InChI=1S/C14H10ClFN4OS/c15-11-3-1-2-9(12(11)16)6-21-20-8-18-13-10-4-5-22-14(10)19-7-17-13/h1-5,7-8H,6H2,(H,17,18,19,20) |
| InChIK | CMPIWFJDSSCHCC-UHFFFAOYSA-N |
| TotalMolweight | 336.777 |
| Molweight | 336.777 |
| MonoisotopicMass | 336.024786 |
| CLogP | 2.408 |
| CLogS | -5.985 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.83 |
| Relative PSA | 0.30997 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -1.0167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(3-chloro-2-fluorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide | 2 - N-[(3-chloro-2-fluorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide
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