N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
Formula:C16H11N3O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C16H11N3O3BrClS |
| Smiles | O=C(c1ccco1)N/N=C\C(SC(N1Cc(cc2)ccc2Br)=O)=C1Cl |
| InChI | InChI=1S/C16H11BrClN3O3S/c17-11-5-3-10(4-6-11)9-21-14(18)13(25-16(21)23)8-19-20-15(22)12-2-1-7-24-12/h1-8H,9H2,(H,20,22) |
| InChIK | HILNERRSCSAHLJ-UHFFFAOYSA-N |
| TotalMolweight | 440.704 |
| Molweight | 440.704 |
| MonoisotopicMass | 438.9393 |
| CLogP | 3.4858 |
| CLogS | -5.844 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.45 |
| Relative PSA | 0.30131 |
| PolarSurfaceArea | 100.21 |
| Druglikeness | 5.5665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
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