N-(3-fluorophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Formula:C17H11N5OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-fluorophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-(3-fluorophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C17H11N5OF2S |
| Smiles | O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)Nc1cc(F)ccc1 |
| InChI | InChI=1S/C17H11F2N5OS/c18-9-2-1-3-11(6-9)20-14(25)8-26-17-22-16-15(23-24-17)12-7-10(19)4-5-13(12)21-16/h1-7H,8H2,(H,20,25)(H,21,22,24) |
| InChIK | JBERPNORUKUXQM-UHFFFAOYSA-N |
| TotalMolweight | 371.37 |
| Molweight | 371.37 |
| MonoisotopicMass | 371.065236 |
| CLogP | 2.8332 |
| CLogS | -5.378 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 261.23 |
| Relative PSA | 0.34027 |
| PolarSurfaceArea | 108.86 |
| Druglikeness | 0.056859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-(3-fluorophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide | 2 - N-(3-fluorophenyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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