1,2-diphenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
Formula:C23H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,2-diphenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone is a drug-like molecule.
| MolName | 1,2-diphenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone |
| MolecularFormula | C23H16N4OS |
| Smiles | O=C(C(c1ccccc1)Sc1nnc(c(cccc2)c2[nH]2)c2n1)c1ccccc1 |
| InChI | InChI=1S/C23H16N4OS/c28-20(15-9-3-1-4-10-15)21(16-11-5-2-6-12-16)29-23-25-22-19(26-27-23)17-13-7-8-14-18(17)24-22/h1-14,21H,(H,24,25,27)/t21-/m1/s1 |
| InChIK | IPKIAEQEURBQOR-OAQYLSRUSA-N |
| TotalMolweight | 396.473 |
| Molweight | 396.473 |
| MonoisotopicMass | 396.104481 |
| CLogP | 4.658 |
| CLogS | -6.218 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.57 |
| Relative PSA | 0.26197 |
| PolarSurfaceArea | 96.83 |
| Druglikeness | 2.3214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon | racemate |
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1 - 1,2-diphenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone | 2 - 1,2-diphenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
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