N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-2-phenoxyacetamide
Formula:C19H15N3O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-2-phenoxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-2-phenoxyacetamide |
| MolecularFormula | C19H15N3O3BrClS |
| Smiles | O=C(COc1ccccc1)N/N=C\C(SC(N1Cc(cc2)ccc2Br)=O)=C1Cl |
| InChI | InChI=1S/C19H15BrClN3O3S/c20-14-8-6-13(7-9-14)11-24-18(21)16(28-19(24)26)10-22-23-17(25)12-27-15-4-2-1-3-5-15/h1-10H,11-12H2,(H,23,25) |
| InChIK | LVGKAGHOWPEIPO-UHFFFAOYSA-N |
| TotalMolweight | 480.769 |
| Molweight | 480.769 |
| MonoisotopicMass | 478.9706 |
| CLogP | 3.872 |
| CLogS | -5.942 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 313.52 |
| Relative PSA | 0.25545 |
| PolarSurfaceArea | 96.3 |
| Druglikeness | 5.5063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-2-phenoxyacetamide | 2 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-2-phenoxyacetamide
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