N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C22H26N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C22H26N4O4S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C22H26N4O4S/c27-22(19-4-3-5-21(16-19)31(28,29)26-10-1-2-11-26)24-23-17-18-6-8-20(9-7-18)25-12-14-30-15-13-25/h3-9,16-17H,1-2,10-15H2,(H,24,27) |
| InChIK | DMGJBUKSCLRCAW-UHFFFAOYSA-N |
| TotalMolweight | 442.538 |
| Molweight | 442.538 |
| MonoisotopicMass | 442.167476 |
| CLogP | 2.7354 |
| CLogS | -3.649 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 329.25 |
| Relative PSA | 0.24811 |
| PolarSurfaceArea | 99.69 |
| Druglikeness | 0.3759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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