10-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Formula:C22H23N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
10-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-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-[(4-chlorophenyl)methylidene]hydrazinyl]-11-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one |
| MolecularFormula | C22H23N4OClS |
| Smiles | O=C1N(C2CCCCC2)C(N/N=C\c(cc2)ccc2Cl)=Nc2c1c(CCC1)c1s2 |
| InChI | InChI=1S/C22H23ClN4OS/c23-15-11-9-14(10-12-15)13-24-26-22-25-20-19(17-7-4-8-18(17)29-20)21(28)27(22)16-5-2-1-3-6-16/h9-13,16H,1-8H2,(H,25,26) |
| InChIK | LENOKWAEAAILME-UHFFFAOYSA-N |
| TotalMolweight | 426.971 |
| Molweight | 426.971 |
| MonoisotopicMass | 426.128108 |
| CLogP | 5.8764 |
| CLogS | -7.244 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.7 |
| Relative PSA | 0.2277 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 1.5597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[(4-chlorophenyl)methylidene]hydrazinyl]-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-[(4-chlorophenyl)methylidene]hydrazinyl]-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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