10-(4-chlorophenyl)-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione
Formula:C22H19N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
10-(4-chlorophenyl)-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-(4-chlorophenyl)-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione |
| MolecularFormula | C22H19N2O2ClS |
| Smiles | O=C(C(C(CSC1)N1C1/C=C/c2ccccc2)C1C1=O)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H19ClN2O2S/c23-15-7-9-16(10-8-15)25-21(26)19-17(11-6-14-4-2-1-3-5-14)24-13-28-12-18(24)20(19)22(25)27/h1-11,17-20H,12-13H2 |
| InChIK | UNKLTRXXWKZTPX-UHFFFAOYSA-N |
| TotalMolweight | 410.924 |
| Molweight | 410.924 |
| MonoisotopicMass | 410.085575 |
| CLogP | 3.665 |
| CLogS | -5.644 |
| H Acceptors | 4 |
| TotalSurfaceArea | 285.55 |
| Relative PSA | 0.17745 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | 3.4888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-(4-chlorophenyl)-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione | 2 - 10-(4-chlorophenyl)-7-[(E)-2-phenylethenyl]-4-thia-6,10-diazatricyclo[6.3.0.02,6]undecane-9,11-dione
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