1-(4-phenylpiperazin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone
Formula:C17H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-phenylpiperazin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone is a drug-like molecule.
| MolName | 1-(4-phenylpiperazin-1-yl)-2-[(Z)-thiophen-2-ylmethylideneamino]oxyethanone |
| MolecularFormula | C17H19N3O2S |
| Smiles | O=C(CO/N=C\c1cccs1)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C17H19N3O2S/c21-17(14-22-18-13-16-7-4-12-23-16)20-10-8-19(9-11-20)15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2 |
| InChIK | BQEKTEPNVCBCMT-UHFFFAOYSA-N |
| TotalMolweight | 329.423 |
| Molweight | 329.423 |
| MonoisotopicMass | 329.119797 |
| CLogP | 3.208 |
| CLogS | -3.148 |
| H Acceptors | 5 |
| TotalSurfaceArea | 257.37 |
| Relative PSA | 0.24094 |
| PolarSurfaceArea | 73.38 |
| Druglikeness | 8.8023 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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