(E)-3-(3,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
Formula:C22H14N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C22H14N2OCl2S |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)Nc1nc(-c2cc3ccccc3cc2)cs1 |
| InChI | InChI=1S/C22H14Cl2N2OS/c23-18-9-5-14(11-19(18)24)6-10-21(27)26-22-25-20(13-28-22)17-8-7-15-3-1-2-4-16(15)12-17/h1-13H,(H,25,26,27) |
| InChIK | GFFNDEBONIPGBV-UHFFFAOYSA-N |
| TotalMolweight | 425.338 |
| Molweight | 425.338 |
| MonoisotopicMass | 424.020387 |
| CLogP | 6.9182 |
| CLogS | -8.087 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 308.63 |
| Relative PSA | 0.1809 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(3,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide | 2 - (E)-3-(3,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
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