N-[(Z)-(2-bromophenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide
Formula:C24H18N3OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide |
| MolecularFormula | C24H18N3OBrS |
| Smiles | O=C(c1ccc(CSc2cccc3cccnc23)cc1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C24H18BrN3OS/c25-21-8-2-1-5-20(21)15-27-28-24(29)19-12-10-17(11-13-19)16-30-22-9-3-6-18-7-4-14-26-23(18)22/h1-15H,16H2,(H,28,29) |
| InChIK | FTSFQEOVKVEPMA-UHFFFAOYSA-N |
| TotalMolweight | 476.397 |
| Molweight | 476.397 |
| MonoisotopicMass | 475.035393 |
| CLogP | 6.2042 |
| CLogS | -7.69 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 329.99 |
| Relative PSA | 0.19537 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 2.9225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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