10-[(2Z)-2-benzylidenehydrazinyl]-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Formula:C22H24N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
10-[(2Z)-2-benzylidenehydrazinyl]-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is not a drug-like molecule.
| MolName | 10-[(2Z)-2-benzylidenehydrazinyl]-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one |
| MolecularFormula | C22H24N4OS |
| Smiles | O=C1N(C2CCCCC2)C(N/N=C\c2ccccc2)=Nc2c1c(CCC1)c1s2 |
| InChI | InChI=1S/C22H24N4OS/c27-21-19-17-12-7-13-18(17)28-20(19)24-22(26(21)16-10-5-2-6-11-16)25-23-14-15-8-3-1-4-9-15/h1,3-4,8-9,14,16H,2,5-7,10-13H2,(H,24,25) |
| InChIK | QHTDJNIEQRBQIU-UHFFFAOYSA-N |
| TotalMolweight | 392.526 |
| Molweight | 392.526 |
| MonoisotopicMass | 392.167081 |
| CLogP | 5.2704 |
| CLogS | -6.508 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.28 |
| Relative PSA | 0.23947 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 1.5247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 10-[(2Z)-2-benzylidenehydrazinyl]-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one | 2 - 10-[(2Z)-2-benzylidenehydrazinyl]-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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