11-benzyl-10-[(2Z)-2-benzylidenehydrazinyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Formula:C23H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
11-benzyl-10-[(2Z)-2-benzylidenehydrazinyl]-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 | 11-benzyl-10-[(2Z)-2-benzylidenehydrazinyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one |
| MolecularFormula | C23H20N4OS |
| Smiles | O=C1N(Cc2ccccc2)C(N/N=C\c2ccccc2)=Nc2c1c(CCC1)c1s2 |
| InChI | InChI=1S/C23H20N4OS/c28-22-20-18-12-7-13-19(18)29-21(20)25-23(26-24-14-16-8-3-1-4-9-16)27(22)15-17-10-5-2-6-11-17/h1-6,8-11,14H,7,12-13,15H2,(H,25,26) |
| InChIK | OMDCGIBMDUOHHD-UHFFFAOYSA-N |
| TotalMolweight | 400.505 |
| Molweight | 400.505 |
| MonoisotopicMass | 400.135781 |
| CLogP | 5.1328 |
| CLogS | -6.257 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 304 |
| Relative PSA | 0.23497 |
| PolarSurfaceArea | 85.3 |
| Druglikeness | 4.8382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 11-benzyl-10-[(2Z)-2-benzylidenehydrazinyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one | 2 - 11-benzyl-10-[(2Z)-2-benzylidenehydrazinyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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