N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]adamantane-1-carboxamide
Formula:C16H19N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]adamantane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]adamantane-1-carboxamide |
| MolecularFormula | C16H19N2OBrS |
| Smiles | O=C(C1(CC(C2)C3)CC3CC2C1)N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C16H19BrN2OS/c17-13-4-14(21-9-13)8-18-19-15(20)16-5-10-1-11(6-16)3-12(2-10)7-16/h4,8-12H,1-3,5-7H2,(H,19,20) |
| InChIK | DWTKPFJRQWIMDM-UHFFFAOYSA-N |
| TotalMolweight | 367.31 |
| Molweight | 367.31 |
| MonoisotopicMass | 366.040144 |
| CLogP | 4.2467 |
| CLogS | -5.55 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.77 |
| Relative PSA | 0.24322 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 0.94119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| StereoCon |
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