N-cyclopropyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Formula:C14H13N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclopropyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-cyclopropyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide |
| MolecularFormula | C14H13N5OS |
| Smiles | O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)NC1CC1 |
| InChI | InChI=1S/C14H13N5OS/c20-11(15-8-5-6-8)7-21-14-17-13-12(18-19-14)9-3-1-2-4-10(9)16-13/h1-4,8H,5-7H2,(H,15,20)(H,16,17,19) |
| InChIK | FJEWVYRJMJCWBS-UHFFFAOYSA-N |
| TotalMolweight | 299.357 |
| Molweight | 299.357 |
| MonoisotopicMass | 299.08408 |
| CLogP | 1.4526 |
| CLogS | -4.007 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 215.29 |
| Relative PSA | 0.41288 |
| PolarSurfaceArea | 108.86 |
| Druglikeness | 2.6845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-cyclopropyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide | 2 - N-cyclopropyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
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