(E)-3-phenyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
Formula:C24H18N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-phenyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C24H18N2OS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1nc(-c(cc2)ccc2-c2ccccc2)cs1 |
| InChI | InChI=1S/C24H18N2OS/c27-23(16-11-18-7-3-1-4-8-18)26-24-25-22(17-28-24)21-14-12-20(13-15-21)19-9-5-2-6-10-19/h1-17H,(H,25,26,27) |
| InChIK | KAPACPYROKBLAQ-UHFFFAOYSA-N |
| TotalMolweight | 382.486 |
| Molweight | 382.486 |
| MonoisotopicMass | 382.113983 |
| CLogP | 6.171 |
| CLogS | -7.095 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 302.95 |
| Relative PSA | 0.18429 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.3439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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