N-(cyclohexylmethyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Formula:C18H20N5OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(cyclohexylmethyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-(cyclohexylmethyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C18H20N5OFS |
| Smiles | O=C(CSc1nnc(c(cc(cc2)F)c2[nH]2)c2n1)NCC1CCCCC1 |
| InChI | InChI=1S/C18H20FN5OS/c19-12-6-7-14-13(8-12)16-17(21-14)22-18(24-23-16)26-10-15(25)20-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,20,25)(H,21,22,24) |
| InChIK | VOEYRDSTHQAKKC-UHFFFAOYSA-N |
| TotalMolweight | 373.455 |
| Molweight | 373.455 |
| MonoisotopicMass | 373.137258 |
| CLogP | 2.7741 |
| CLogS | -5.183 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.68 |
| Relative PSA | 0.32127 |
| PolarSurfaceArea | 108.86 |
| Druglikeness | -3.6366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-(cyclohexylmethyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide | 2 - N-(cyclohexylmethyl)-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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