2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
Formula:C14H10N3O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C14H10N3O2BrS2 |
| Smiles | O=C(CSc1nc(cccc2)c2o1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C14H10BrN3O2S2/c15-12-6-5-9(22-12)7-16-18-13(19)8-21-14-17-10-3-1-2-4-11(10)20-14/h1-7H,8H2,(H,18,19) |
| InChIK | NWNQZHPFFKRRAK-UHFFFAOYSA-N |
| TotalMolweight | 396.288 |
| Molweight | 396.288 |
| MonoisotopicMass | 394.939778 |
| CLogP | 4.4648 |
| CLogS | -5.738 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.86 |
| Relative PSA | 0.3867 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | 2.3323 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide | 2 - 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
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