N-[(3-chlorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide
Formula:C14H11N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(3-chlorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide is a drug-like molecule.
| MolName | N-[(3-chlorophenyl)methoxy]-N'-thieno[2,3-d]pyrimidin-4-ylmethanimidamide |
| MolecularFormula | C14H11N4OClS |
| Smiles | Clc1cc(CON/C=N/c2ncnc3c2ccs3)ccc1 |
| InChI | InChI=1S/C14H11ClN4OS/c15-11-3-1-2-10(6-11)7-20-19-9-17-13-12-4-5-21-14(12)18-8-16-13/h1-6,8-9H,7H2,(H,16,17,18,19) |
| InChIK | MYJLNHVWJNKFEO-UHFFFAOYSA-N |
| TotalMolweight | 318.787 |
| Molweight | 318.787 |
| MonoisotopicMass | 318.034208 |
| CLogP | 2.3072 |
| CLogS | -5.671 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.48 |
| Relative PSA | 0.31829 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | 0.32331 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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