N-(2,3-diphenylquinoxalin-6-yl)piperidine-1-carbothioamide
Formula:C26H24N4S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-(2,3-diphenylquinoxalin-6-yl)piperidine-1-carbothioamide is not a drug-like molecule.
| MolName | N-(2,3-diphenylquinoxalin-6-yl)piperidine-1-carbothioamide |
| MolecularFormula | C26H24N4S |
| Smiles | S=C(Nc1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1)N1CCCCC1 |
| InChI | InChI=1S/C26H24N4S/c31-26(30-16-8-3-9-17-30)27-21-14-15-22-23(18-21)29-25(20-12-6-2-7-13-20)24(28-22)19-10-4-1-5-11-19/h1-2,4-7,10-15,18H,3,8-9,16-17H2,(H,27,31) |
| InChIK | FPISZFINNAJRPK-UHFFFAOYSA-N |
| TotalMolweight | 424.571 |
| Molweight | 424.571 |
| MonoisotopicMass | 424.172166 |
| CLogP | 5.8265 |
| CLogS | -6.177 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 334.67 |
| Relative PSA | 0.19407 |
| PolarSurfaceArea | 73.14 |
| Druglikeness | 0.28832 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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