(E)-3-phenyl-1-[3-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-yl]prop-2-en-1-one
Formula:C20H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-[3-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-[3-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-yl]prop-2-en-1-one |
| MolecularFormula | C20H17N3OS |
| Smiles | O=C(/C=C/c1ccccc1)n1c(SC/C=C\c2ccccc2)nnc1 |
| InChI | InChI=1S/C20H17N3OS/c24-19(14-13-18-10-5-2-6-11-18)23-16-21-22-20(23)25-15-7-12-17-8-3-1-4-9-17/h1-14,16H,15H2 |
| InChIK | MYVJOINBZKGSRB-UHFFFAOYSA-N |
| TotalMolweight | 347.441 |
| Molweight | 347.441 |
| MonoisotopicMass | 347.109232 |
| CLogP | 4.3538 |
| CLogS | -4.578 |
| H Acceptors | 4 |
| TotalSurfaceArea | 281.5 |
| Relative PSA | 0.2108 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 2.2075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-1-[3-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-yl]prop-2-en-1-one | 2 - (E)-3-phenyl-1-[3-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-yl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off