1,1-bis(pyridin-2-ylmethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea
Formula:C19H18N6S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1,1-bis(pyridin-2-ylmethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1,1-bis(pyridin-2-ylmethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea |
| MolecularFormula | C19H18N6S |
| Smiles | S=C(N/N=C\c1ncccc1)N(Cc1ncccc1)Cc1ncccc1 |
| InChI | InChI=1S/C19H18N6S/c26-19(24-23-13-16-7-1-4-10-20-16)25(14-17-8-2-5-11-21-17)15-18-9-3-6-12-22-18/h1-13H,14-15H2,(H,24,26) |
| InChIK | AEEZWHXVVXFVAD-UHFFFAOYSA-N |
| TotalMolweight | 362.46 |
| Molweight | 362.46 |
| MonoisotopicMass | 362.131364 |
| CLogP | 2.1455 |
| CLogS | -2.785 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.81 |
| Relative PSA | 0.29556 |
| PolarSurfaceArea | 98.39 |
| Druglikeness | 4.0195 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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