N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide
Formula:C14H13N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,4-dimethoxybenzamide |
| MolecularFormula | C14H13N2O3BrS |
| Smiles | COc(ccc(C(N/N=C\c(s1)ccc1Br)=O)c1)c1OC |
| InChI | InChI=1S/C14H13BrN2O3S/c1-19-11-5-3-9(7-12(11)20-2)14(18)17-16-8-10-4-6-13(15)21-10/h3-8H,1-2H3,(H,17,18) |
| InChIK | AZNDNKFSBFGGOM-UHFFFAOYSA-N |
| TotalMolweight | 369.238 |
| Molweight | 369.238 |
| MonoisotopicMass | 367.983024 |
| CLogP | 3.8581 |
| CLogS | -4.618 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.08 |
| Relative PSA | 0.31035 |
| PolarSurfaceArea | 88.16 |
| Druglikeness | 2.2211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
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