1-benzyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
Formula:C19H22N4OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea |
| MolecularFormula | C19H22N4OS |
| Smiles | S=C(NCc1ccccc1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C19H22N4OS/c25-19(20-14-16-4-2-1-3-5-16)22-21-15-17-6-8-18(9-7-17)23-10-12-24-13-11-23/h1-9,15H,10-14H2,(H2,20,22,25) |
| InChIK | FTYUXAYJJBJALW-UHFFFAOYSA-N |
| TotalMolweight | 354.477 |
| Molweight | 354.477 |
| MonoisotopicMass | 354.151431 |
| CLogP | 2.9706 |
| CLogS | -4.24 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 289.01 |
| Relative PSA | 0.2629 |
| PolarSurfaceArea | 80.98 |
| Druglikeness | 3.3966 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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