(E)-3-(4-bromothiophen-2-yl)-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Formula:C17H11N2OBrCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromothiophen-2-yl)-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-bromothiophen-2-yl)-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide |
| MolecularFormula | C17H11N2OBrCl2S2 |
| Smiles | O=C(/C=C/c1cc(Br)cs1)Nc1ncc(Cc(ccc(Cl)c2)c2Cl)s1 |
| InChI | InChI=1S/C17H11BrCl2N2OS2/c18-11-6-13(24-9-11)3-4-16(23)22-17-21-8-14(25-17)5-10-1-2-12(19)7-15(10)20/h1-4,6-9H,5H2,(H,21,22,23) |
| InChIK | CXHVTMRJWJMZGY-UHFFFAOYSA-N |
| TotalMolweight | 474.229 |
| Molweight | 474.229 |
| MonoisotopicMass | 471.887318 |
| CLogP | 6.4635 |
| CLogS | -7.368 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 302.36 |
| Relative PSA | 0.25198 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | -3.9043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(4-bromothiophen-2-yl)-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide | 2 - (E)-3-(4-bromothiophen-2-yl)-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
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