1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
Formula:C20H18N4OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea is a drug-like molecule.
| MolName | 1-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea |
| MolecularFormula | C20H18N4OS |
| Smiles | S=C(Nc1cnccc1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C20H18N4OS/c26-20(23-18-7-4-12-21-14-18)24-22-13-16-8-10-19(11-9-16)25-15-17-5-2-1-3-6-17/h1-14H,15H2,(H2,23,24,26) |
| InChIK | FQFFPDPNADMOTJ-UHFFFAOYSA-N |
| TotalMolweight | 362.456 |
| Molweight | 362.456 |
| MonoisotopicMass | 362.120131 |
| CLogP | 3.9394 |
| CLogS | -4.867 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 295.69 |
| Relative PSA | 0.28205 |
| PolarSurfaceArea | 90.63 |
| Druglikeness | 1.8021 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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