2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide
Formula:C19H22N5O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide |
| MolecularFormula | C19H22N5O2S2 |
| Smiles | NC(CSc1c2sc3nc(N4CCOCC4)c(CCCC4)c4c3c2nc[nH+]1)=O |
| InChI | InChI=1S/C19H21N5O2S2/c20-13(25)9-27-19-16-15(21-10-22-19)14-11-3-1-2-4-12(11)17(23-18(14)28-16)24-5-7-26-8-6-24/h10H,1-9H2,(H2,20,25)/p+1 |
| InChIK | QGQSKMNQQBLNIC-UHFFFAOYSA-O |
| TotalMolweight | 416.549 |
| Molweight | 416.549 |
| MonoisotopicMass | 416.12149 |
| CLogP | -0.0951 |
| CLogS | -5.131 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 284.61 |
| Relative PSA | 0.35716 |
| PolarSurfaceArea | 149.02 |
| Druglikeness | -3.3784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide | 2 - 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-14-ium-13-yl)sulfanyl]acetamide
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