N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C20H21N3O4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H21N3O4F2S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C20H21F2N3O4S/c21-20(22)29-17-9-7-15(8-10-17)14-23-24-19(26)16-5-4-6-18(13-16)30(27,28)25-11-2-1-3-12-25/h4-10,13-14,20H,1-3,11-12H2,(H,24,26) |
| InChIK | BZQVYQDLNRVATB-UHFFFAOYSA-N |
| TotalMolweight | 437.466 |
| Molweight | 437.466 |
| MonoisotopicMass | 437.122083 |
| CLogP | 3.5778 |
| CLogS | -4.438 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 316.37 |
| Relative PSA | 0.24699 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -3.2568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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