(5Z)-5-[(2,6-dichlorophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Formula:C17H10N2O2Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2,6-dichlorophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| MolecularFormula | C17H10N2O2Cl2S |
| Smiles | O=C(/C(/C(N1c2ccccc2)=O)=C/c(c(Cl)ccc2)c2Cl)NC1=S |
| InChI | InChI=1S/C17H10Cl2N2O2S/c18-13-7-4-8-14(19)11(13)9-12-15(22)20-17(24)21(16(12)23)10-5-2-1-3-6-10/h1-9H,(H,20,22,24) |
| InChIK | NARZMWRGRWQJPM-UHFFFAOYSA-N |
| TotalMolweight | 377.25 |
| Molweight | 377.25 |
| MonoisotopicMass | 375.984002 |
| CLogP | 3.7279 |
| CLogS | -5.443 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.04 |
| Relative PSA | 0.26068 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 3.6551 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(2,6-dichlorophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5Z)-5-[(2,6-dichlorophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off