O-(6H-indolo[2,3-b]quinoxalin-2-yl) 3-phenylpyrrolidine-1-carbothioate
Formula:C25H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
O-(6H-indolo[2,3-b]quinoxalin-2-yl) 3-phenylpyrrolidine-1-carbothioate is not a drug-like molecule.
| MolName | O-(6H-indolo[2,3-b]quinoxalin-2-yl) 3-phenylpyrrolidine-1-carbothioate |
| MolecularFormula | C25H20N4OS |
| Smiles | S=C(N(CC1)CC1c1ccccc1)Oc1cc2nc(c(cccc3)c3[nH]3)c3nc2cc1 |
| InChI | InChI=1S/C25H20N4OS/c31-25(29-13-12-17(15-29)16-6-2-1-3-7-16)30-18-10-11-21-22(14-18)26-23-19-8-4-5-9-20(19)27-24(23)28-21/h1-11,14,17H,12-13,15H2,(H,27,28)/t17-/m1/s1 |
| InChIK | LVCUKVDQGLESHQ-QGZVFWFLSA-N |
| TotalMolweight | 424.527 |
| Molweight | 424.527 |
| MonoisotopicMass | 424.135781 |
| CLogP | 5.7732 |
| CLogS | -6.308 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.2 |
| Relative PSA | 0.24426 |
| PolarSurfaceArea | 86.13 |
| Druglikeness | 2.7297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
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