10-phenyl-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione
Formula:C22H20N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
10-phenyl-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione is a drug-like molecule.
| MolName | 10-phenyl-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione |
| MolecularFormula | C22H20N2O2S |
| Smiles | O=C(C(C(CSC1)N1C1/C=C/c2ccccc2)C1C1=O)N1c1ccccc1 |
| InChI | InChI=1S/C22H20N2O2S/c25-21-19-17(12-11-15-7-3-1-4-8-15)23-14-27-13-18(23)20(19)22(26)24(21)16-9-5-2-6-10-16/h1-12,17-20H,13-14H2 |
| InChIK | MBXWDSGZEQLRNI-UHFFFAOYSA-N |
| TotalMolweight | 376.479 |
| Molweight | 376.479 |
| MonoisotopicMass | 376.124548 |
| CLogP | 3.059 |
| CLogS | -4.908 |
| H Acceptors | 4 |
| TotalSurfaceArea | 270.13 |
| Relative PSA | 0.18758 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | 3.4435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 10-phenyl-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione | 2 - 10-phenyl-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione
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