N-[(Z)-benzylideneamino]-3-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]sulfanylpropanamide
Formula:C20H22N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]sulfanylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]sulfanylpropanamide |
| MolecularFormula | C20H22N4O2S |
| Smiles | O=C(CCSCCC(N/N=C\c1ccccc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C20H22N4O2S/c25-19(23-21-15-17-7-3-1-4-8-17)11-13-27-14-12-20(26)24-22-16-18-9-5-2-6-10-18/h1-10,15-16H,11-14H2,(H,23,25)(H,24,26) |
| InChIK | FMVOKYHMOJAAIR-UHFFFAOYSA-N |
| TotalMolweight | 382.487 |
| Molweight | 382.487 |
| MonoisotopicMass | 382.146346 |
| CLogP | 4.0934 |
| CLogS | -5.265 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.49 |
| Relative PSA | 0.28553 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 4.3593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-3-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]sulfanylpropanamide | 2 - N-[(Z)-benzylideneamino]-3-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]sulfanylpropanamide
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