O-(6H-indolo[2,3-b]quinoxalin-2-yl) azepane-1-carbothioate
Formula:C21H20N4OS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
O-(6H-indolo[2,3-b]quinoxalin-2-yl) azepane-1-carbothioate is a drug-like molecule.
| MolName | O-(6H-indolo[2,3-b]quinoxalin-2-yl) azepane-1-carbothioate |
| MolecularFormula | C21H20N4OS |
| Smiles | S=C(N1CCCCCC1)Oc1cc2nc(c(cccc3)c3[nH]3)c3nc2cc1 |
| InChI | InChI=1S/C21H20N4OS/c27-21(25-11-5-1-2-6-12-25)26-14-9-10-17-18(13-14)22-19-15-7-3-4-8-16(15)23-20(19)24-17/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,24) |
| InChIK | DVNANUIOJOULQF-UHFFFAOYSA-N |
| TotalMolweight | 376.483 |
| Molweight | 376.483 |
| MonoisotopicMass | 376.135781 |
| CLogP | 4.7128 |
| CLogS | -5.615 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.22 |
| Relative PSA | 0.2707 |
| PolarSurfaceArea | 86.13 |
| Druglikeness | -2.3448 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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