N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C19H19N3O4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H19N3O4F2S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C19H19F2N3O4S/c20-19(21)28-17-9-2-1-6-15(17)13-22-23-18(25)14-7-5-8-16(12-14)29(26,27)24-10-3-4-11-24/h1-2,5-9,12-13,19H,3-4,10-11H2,(H,23,25) |
| InChIK | DTEZDSSSMATLCD-UHFFFAOYSA-N |
| TotalMolweight | 423.439 |
| Molweight | 423.439 |
| MonoisotopicMass | 423.106433 |
| CLogP | 3.2358 |
| CLogS | -4.168 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 302.61 |
| Relative PSA | 0.25822 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -1.6667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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