N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
Formula:C20H22N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide |
| MolecularFormula | C20H22N3O4BrS |
| Smiles | O=C(CCc(cc1)ccc1S(N1CCOCC1)(=O)=O)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C20H22BrN3O4S/c21-19-4-2-1-3-17(19)15-22-23-20(25)10-7-16-5-8-18(9-6-16)29(26,27)24-11-13-28-14-12-24/h1-6,8-9,15H,7,10-14H2,(H,23,25) |
| InChIK | YUQGJDXQEIIDND-UHFFFAOYSA-N |
| TotalMolweight | 480.382 |
| Molweight | 480.382 |
| MonoisotopicMass | 479.051438 |
| CLogP | 3.4221 |
| CLogS | -3.996 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.56 |
| Relative PSA | 0.2415 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 1.0584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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