6-morpholin-4-yl-3-[C-morpholin-4-yl-N-[(E)-2-phenylethenyl]carbonimidoyl]-1-[(E)-2-phenylethenyl]-1,3,5-triazine-2,4-dithione
Formula:C28H30N6O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-morpholin-4-yl-3-[C-morpholin-4-yl-N-[(E)-2-phenylethenyl]carbonimidoyl]-1-[(E)-2-phenylethenyl]-1,3,5-triazine-2,4-dithione is not a drug-like molecule.
| MolName | 6-morpholin-4-yl-3-[C-morpholin-4-yl-N-[(E)-2-phenylethenyl]carbonimidoyl]-1-[(E)-2-phenylethenyl]-1,3,5-triazine-2,4-dithione |
| MolecularFormula | C28H30N6O2S2 |
| Smiles | S=C(N(/C=C/c1ccccc1)C(N1CCOCC1)=N1)N(/C(/N2CCOCC2)=N/C=C/c2ccccc2)C1=S |
| InChI | InChI=1S/C28H30N6O2S2/c37-27-30-26(32-17-21-36-22-18-32)33(14-12-24-9-5-2-6-10-24)28(38)34(27)25(31-15-19-35-20-16-31)29-13-11-23-7-3-1-4-8-23/h1-14H,15-22H2 |
| InChIK | ZRARYINGNLYYEC-UHFFFAOYSA-N |
| TotalMolweight | 546.718 |
| Molweight | 546.718 |
| MonoisotopicMass | 546.187164 |
| CLogP | 4.1274 |
| CLogS | -5.384 |
| H Acceptors | 8 |
| TotalSurfaceArea | 428.16 |
| Relative PSA | 0.26443 |
| PolarSurfaceArea | 120.32 |
| Druglikeness | 1.5501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-morpholin-4-yl-3-[C-morpholin-4-yl-N-[(E)-2-phenylethenyl]carbonimidoyl]-1-[(E)-2-phenylethenyl]-1,3,5-triazine-2,4-dithione | 2 - 6-morpholin-4-yl-3-[C-morpholin-4-yl-N-[(E)-2-phenylethenyl]carbonimidoyl]-1-[(E)-2-phenylethenyl]-1,3,5-triazine-2,4-dithione
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