N-[(2,4-dichlorophenyl)methoxy]-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
Formula:C16H12N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2,4-dichlorophenyl)methoxy]-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide is a drug-like molecule.
| MolName | N-[(2,4-dichlorophenyl)methoxy]-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide |
| MolecularFormula | C16H12N4OCl2S |
| Smiles | Clc1cc(Cl)c(CON/C=N\c2nc(-c3cccs3)ccn2)cc1 |
| InChI | InChI=1S/C16H12Cl2N4OS/c17-12-4-3-11(13(18)8-12)9-23-21-10-20-16-19-6-5-14(22-16)15-2-1-7-24-15/h1-8,10H,9H2,(H,19,20,21,22) |
| InChIK | DRMRSJCZQVCIQM-UHFFFAOYSA-N |
| TotalMolweight | 379.27 |
| Molweight | 379.27 |
| MonoisotopicMass | 378.010885 |
| CLogP | 3.6696 |
| CLogS | -5.886 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.06 |
| Relative PSA | 0.27167 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | 2.2211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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