N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine
Formula:C19H18N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine |
| MolecularFormula | C19H18N4OS |
| Smiles | C(CC1)CC(/C=N\Nc2ncccc2)=C1Sc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C19H18N4OS/c1-4-10-17(25-19-22-15-8-2-3-9-16(15)24-19)14(7-1)13-21-23-18-11-5-6-12-20-18/h2-3,5-6,8-9,11-13H,1,4,7,10H2,(H,20,23) |
| InChIK | UJSRFZDTZMEAGI-UHFFFAOYSA-N |
| TotalMolweight | 350.445 |
| Molweight | 350.445 |
| MonoisotopicMass | 350.120131 |
| CLogP | 5.7768 |
| CLogS | -5.309 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273 |
| Relative PSA | 0.28026 |
| PolarSurfaceArea | 88.61 |
| Druglikeness | -1.5264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine | 2 - N-[(Z)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]pyridin-2-amine
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