O-(6H-indolo[2,3-b]quinoxalin-2-yl) 4-phenylpiperazine-1-carbothioate
Formula:C25H21N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
O-(6H-indolo[2,3-b]quinoxalin-2-yl) 4-phenylpiperazine-1-carbothioate is a drug-like molecule.
| MolName | O-(6H-indolo[2,3-b]quinoxalin-2-yl) 4-phenylpiperazine-1-carbothioate |
| MolecularFormula | C25H21N5OS |
| Smiles | S=C(N(CC1)CCN1c1ccccc1)Oc1cc2nc(c(cccc3)c3[nH]3)c3nc2cc1 |
| InChI | InChI=1S/C25H21N5OS/c32-25(30-14-12-29(13-15-30)17-6-2-1-3-7-17)31-18-10-11-21-22(16-18)26-23-19-8-4-5-9-20(19)27-24(23)28-21/h1-11,16H,12-15H2,(H,27,28) |
| InChIK | XIMMASNWPPZVDF-UHFFFAOYSA-N |
| TotalMolweight | 439.542 |
| Molweight | 439.542 |
| MonoisotopicMass | 439.14668 |
| CLogP | 4.8114 |
| CLogS | -5.803 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.76 |
| Relative PSA | 0.24647 |
| PolarSurfaceArea | 89.37 |
| Druglikeness | 4.0956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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