(E)-3-(2-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
Formula:C22H15N2OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C22H15N2OClS |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc1nc(-c2cc3ccccc3cc2)cs1 |
| InChI | InChI=1S/C22H15ClN2OS/c23-19-8-4-3-6-16(19)11-12-21(26)25-22-24-20(14-27-22)18-10-9-15-5-1-2-7-17(15)13-18/h1-14H,(H,24,25,26) |
| InChIK | BQAOOAIVGCDIFC-UHFFFAOYSA-N |
| TotalMolweight | 390.893 |
| Molweight | 390.893 |
| MonoisotopicMass | 390.05936 |
| CLogP | 6.3122 |
| CLogS | -7.351 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 293.21 |
| Relative PSA | 0.19041 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 1.405 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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