N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C22H22N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C22H22N4O |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cc1)ccc1N1CCCC1 |
| InChI | InChI=1S/C22H22N4O/c27-22(20-7-1-2-8-21(20)26-15-5-6-16-26)24-23-17-18-9-11-19(12-10-18)25-13-3-4-14-25/h1-2,5-12,15-17H,3-4,13-14H2,(H,24,27) |
| InChIK | WOEOGPJOVKJBTP-UHFFFAOYSA-N |
| TotalMolweight | 358.444 |
| Molweight | 358.444 |
| MonoisotopicMass | 358.179361 |
| CLogP | 3.8775 |
| CLogS | -6.756 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.79 |
| Relative PSA | 0.16133 |
| PolarSurfaceArea | 49.63 |
| Druglikeness | 5.916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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