N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C26H20N4O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C26H20N4O3ClF |
| Smiles | O=C(COc(ccc(/C=N\NC(c(cccc1)c1-n1cccc1)=O)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C26H20ClFN4O3/c27-20-15-18(11-12-24(20)35-17-25(33)30-22-9-3-2-8-21(22)28)16-29-31-26(34)19-7-1-4-10-23(19)32-13-5-6-14-32/h1-16H,17H2,(H,30,33)(H,31,34) |
| InChIK | NZNROOYGPNPGBM-UHFFFAOYSA-N |
| TotalMolweight | 490.921 |
| Molweight | 490.921 |
| MonoisotopicMass | 490.120796 |
| CLogP | 4.8157 |
| CLogS | -8.376 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 370.45 |
| Relative PSA | 0.20888 |
| PolarSurfaceArea | 84.72 |
| Druglikeness | 4.0421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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