N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
Formula:C21H22N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide |
| MolecularFormula | C21H22N4O4S |
| Smiles | N#Cc1ccc(/C=N\NC(CCc(cc2)ccc2S(N2CCOCC2)(=O)=O)=O)cc1 |
| InChI | InChI=1S/C21H22N4O4S/c22-15-18-1-3-19(4-2-18)16-23-24-21(26)10-7-17-5-8-20(9-6-17)30(27,28)25-11-13-29-14-12-25/h1-6,8-9,16H,7,10-14H2,(H,24,26) |
| InChIK | OKTAMQUFWRBKGS-UHFFFAOYSA-N |
| TotalMolweight | 426.496 |
| Molweight | 426.496 |
| MonoisotopicMass | 426.136176 |
| CLogP | 2.5325 |
| CLogS | -3.935 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 326.64 |
| Relative PSA | 0.28074 |
| PolarSurfaceArea | 120.24 |
| Druglikeness | -3.8988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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