N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Formula:C17H13N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide |
| MolecularFormula | C17H13N5OS |
| Smiles | O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc1ccccc1 |
| InChI | InChI=1S/C17H13N5OS/c23-14(18-11-6-2-1-3-7-11)10-24-17-20-16-15(21-22-17)12-8-4-5-9-13(12)19-16/h1-9H,10H2,(H,18,23)(H,19,20,22) |
| InChIK | PAKGEFSXOKPBSS-UHFFFAOYSA-N |
| TotalMolweight | 335.39 |
| Molweight | 335.39 |
| MonoisotopicMass | 335.08408 |
| CLogP | 2.6316 |
| CLogS | -4.75 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 248.53 |
| Relative PSA | 0.35766 |
| PolarSurfaceArea | 108.86 |
| Druglikeness | 1.3969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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