N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C19H19N3O5F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C19H19N3O5F2S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C19H19F2N3O5S/c20-19(21)29-17-7-2-1-4-15(17)13-22-23-18(25)14-5-3-6-16(12-14)30(26,27)24-8-10-28-11-9-24/h1-7,12-13,19H,8-11H2,(H,23,25) |
| InChIK | WXVXEQVYLAAGPM-UHFFFAOYSA-N |
| TotalMolweight | 439.438 |
| Molweight | 439.438 |
| MonoisotopicMass | 439.101348 |
| CLogP | 2.4138 |
| CLogS | -3.549 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 312.61 |
| Relative PSA | 0.28195 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -2.1778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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