1-benzyl-3-[(Z)-[3-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
Formula:C24H24N6S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-[3-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-[3-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea |
| MolecularFormula | C24H24N6S2 |
| Smiles | S=C(NCc1ccccc1)N/N=C\c1cccc(/C=N\NC(NCc2ccccc2)=S)c1 |
| InChI | InChI=1S/C24H24N6S2/c31-23(25-15-19-8-3-1-4-9-19)29-27-17-21-12-7-13-22(14-21)18-28-30-24(32)26-16-20-10-5-2-6-11-20/h1-14,17-18H,15-16H2,(H2,25,29,31)(H2,26,30,32) |
| InChIK | OAHBWQQPKXDOGF-UHFFFAOYSA-N |
| TotalMolweight | 460.629 |
| Molweight | 460.629 |
| MonoisotopicMass | 460.150384 |
| CLogP | 4.9436 |
| CLogS | -6.658 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 381.08 |
| Relative PSA | 0.32765 |
| PolarSurfaceArea | 137.02 |
| Druglikeness | 2.6555 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 17 |
| StereoCon |
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1 - 1-benzyl-3-[(Z)-[3-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea | 2 - 1-benzyl-3-[(Z)-[3-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
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