4-(phenylcarbamoylamino)-N-[(Z)-3-phenylpropylideneamino]benzamide
Formula:C23H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(phenylcarbamoylamino)-N-[(Z)-3-phenylpropylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(phenylcarbamoylamino)-N-[(Z)-3-phenylpropylideneamino]benzamide |
| MolecularFormula | C23H22N4O2 |
| Smiles | O=C(c(cc1)ccc1NC(Nc1ccccc1)=O)N/N=C\CCc1ccccc1 |
| InChI | InChI=1S/C23H22N4O2/c28-22(27-24-17-7-10-18-8-3-1-4-9-18)19-13-15-21(16-14-19)26-23(29)25-20-11-5-2-6-12-20/h1-6,8-9,11-17H,7,10H2,(H,27,28)(H2,25,26,29) |
| InChIK | BIZQCSDQMGHKKU-UHFFFAOYSA-N |
| TotalMolweight | 386.454 |
| Molweight | 386.454 |
| MonoisotopicMass | 386.174276 |
| CLogP | 4.4846 |
| CLogS | -5.906 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 314.94 |
| Relative PSA | 0.22852 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 3.6332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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