N,N-dicyclohexyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
Formula:C23H29N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N-dicyclohexyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N,N-dicyclohexyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide |
| MolecularFormula | C23H29N5OS |
| Smiles | O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)N(C1CCCCC1)C1CCCCC1 |
| InChI | InChI=1S/C23H29N5OS/c29-20(28(16-9-3-1-4-10-16)17-11-5-2-6-12-17)15-30-23-25-22-21(26-27-23)18-13-7-8-14-19(18)24-22/h7-8,13-14,16-17H,1-6,9-12,15H2,(H,24,25,27) |
| InChIK | RDGZMHHUXSDDFI-UHFFFAOYSA-N |
| TotalMolweight | 423.583 |
| Molweight | 423.583 |
| MonoisotopicMass | 423.20928 |
| CLogP | 4.3008 |
| CLogS | -6.029 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 323.21 |
| Relative PSA | 0.25055 |
| PolarSurfaceArea | 100.07 |
| Druglikeness | -7.0981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 14 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N,N-dicyclohexyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide | 2 - N,N-dicyclohexyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
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