N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide
Formula:C23H18N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-naphthalen-1-yloxyacetamide |
| MolecularFormula | C23H18N3O2Br |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c(cc1)ccc1Br |
| InChI | InChI=1S/C23H18BrN3O2/c24-18-10-12-19(13-11-18)27-14-4-7-20(27)15-25-26-23(28)16-29-22-9-3-6-17-5-1-2-8-21(17)22/h1-15H,16H2,(H,26,28) |
| InChIK | RYJXOLMYHAFGAE-UHFFFAOYSA-N |
| TotalMolweight | 448.319 |
| Molweight | 448.319 |
| MonoisotopicMass | 447.058238 |
| CLogP | 4.935 |
| CLogS | -8.278 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.94 |
| Relative PSA | 0.16898 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 3.5082 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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