1-(2,3-dihydroindol-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
Formula:C19H15N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(2,3-dihydroindol-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone is a drug-like molecule.
| MolName | 1-(2,3-dihydroindol-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone |
| MolecularFormula | C19H15N5OS |
| Smiles | O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)N(CC1)c2c1cccc2 |
| InChI | InChI=1S/C19H15N5OS/c25-16(24-10-9-12-5-1-4-8-15(12)24)11-26-19-21-18-17(22-23-19)13-6-2-3-7-14(13)20-18/h1-8H,9-11H2,(H,20,21,23) |
| InChIK | LGNRVKCCBKYWOX-UHFFFAOYSA-N |
| TotalMolweight | 361.428 |
| Molweight | 361.428 |
| MonoisotopicMass | 361.09973 |
| CLogP | 3.0184 |
| CLogS | -5.075 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.39 |
| Relative PSA | 0.30981 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | 3.669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-(2,3-dihydroindol-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone | 2 - 1-(2,3-dihydroindol-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
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