N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide
Formula:C21H19N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide |
| MolecularFormula | C21H19N3O4Cl2S |
| Smiles | O=C(CCN(Cc1ccco1)S(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H19Cl2N3O4S/c22-17-5-3-16(4-6-17)14-24-25-21(27)11-12-26(15-19-2-1-13-30-19)31(28,29)20-9-7-18(23)8-10-20/h1-10,13-14H,11-12,15H2,(H,25,27) |
| InChIK | RAYUCESYQJJGAD-UHFFFAOYSA-N |
| TotalMolweight | 480.371 |
| Molweight | 480.371 |
| MonoisotopicMass | 479.047331 |
| CLogP | 4.3383 |
| CLogS | -5.369 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 347.44 |
| Relative PSA | 0.23673 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 7.74 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanamide
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