N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C22H15N3O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C22H15N3O3BrClS |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\C(SC(N1Cc(cc2)ccc2Br)=O)=C1Cl)=O |
| InChI | InChI=1S/C22H15BrClN3O3S/c23-16-7-5-13(6-8-16)12-27-20(24)19(31-22(27)30)11-25-26-21(29)17-9-14-3-1-2-4-15(14)10-18(17)28/h1-11,28H,12H2,(H,26,29) |
| InChIK | QDYZGPRVMNHMHQ-UHFFFAOYSA-N |
| TotalMolweight | 516.802 |
| Molweight | 516.802 |
| MonoisotopicMass | 514.9706 |
| CLogP | 5.1458 |
| CLogS | -7.472 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 330.71 |
| Relative PSA | 0.25155 |
| PolarSurfaceArea | 107.3 |
| Druglikeness | 5.624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; 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 | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
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