N-(2-phenylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Formula:C23H17N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-phenylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-(2-phenylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide |
| MolecularFormula | C23H17N5OS |
| Smiles | O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc(cccc1)c1-c1ccccc1 |
| InChI | InChI=1S/C23H17N5OS/c29-20(24-18-12-6-4-10-16(18)15-8-2-1-3-9-15)14-30-23-26-22-21(27-28-23)17-11-5-7-13-19(17)25-22/h1-13H,14H2,(H,24,29)(H,25,26,28) |
| InChIK | YKOKANVIDLGUIY-UHFFFAOYSA-N |
| TotalMolweight | 411.488 |
| Molweight | 411.488 |
| MonoisotopicMass | 411.11538 |
| CLogP | 4.2908 |
| CLogS | -6.836 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 308.29 |
| Relative PSA | 0.28833 |
| PolarSurfaceArea | 108.86 |
| Druglikeness | 1.3969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-(2-phenylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide | 2 - N-(2-phenylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
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