N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C20H19N3O5F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H19N3O5F4S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C20H19F4N3O5S/c21-19(22)31-15-7-6-14(17(11-15)32-20(23)24)12-25-26-18(28)13-4-3-5-16(10-13)33(29,30)27-8-1-2-9-27/h3-7,10-12,19-20H,1-2,8-9H2,(H,26,28) |
| InChIK | WWSFGTDTWBILBU-UHFFFAOYSA-N |
| TotalMolweight | 489.445 |
| Molweight | 489.445 |
| MonoisotopicMass | 489.098154 |
| CLogP | 3.4052 |
| CLogS | -4.79 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 337.81 |
| Relative PSA | 0.26092 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -3.2262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
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