N-(2-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]pentanediamide
Formula:C16H16N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]pentanediamide is a drug-like molecule.
| MolName | N-(2-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]pentanediamide |
| MolecularFormula | C16H16N3O2BrS |
| Smiles | O=C(CCCC(N/N=C\c1cccs1)=O)Nc(cccc1)c1Br |
| InChI | InChI=1S/C16H16BrN3O2S/c17-13-6-1-2-7-14(13)19-15(21)8-3-9-16(22)20-18-11-12-5-4-10-23-12/h1-2,4-7,10-11H,3,8-9H2,(H,19,21)(H,20,22) |
| InChIK | FOWJAYOYJWZLIC-UHFFFAOYSA-N |
| TotalMolweight | 394.292 |
| Molweight | 394.292 |
| MonoisotopicMass | 393.014658 |
| CLogP | 4.0989 |
| CLogS | -5.179 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.05 |
| Relative PSA | 0.29726 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | -0.90246 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-(2-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]pentanediamide | 2 - N-(2-bromophenyl)-N'-[(Z)-thiophen-2-ylmethylideneamino]pentanediamide
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