ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate
Formula:C24H23NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate is a drug-like molecule.
| MolName | ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate |
| MolecularFormula | C24H23NO5S |
| Smiles | CCOC(c1c(NC(C=Cc(cc2)cc(OC)c2OC)=O)scc1-c1ccccc1)=O |
| InChI | InChI=1S/C24H23NO5S/c1-4-30-24(27)22-18(17-8-6-5-7-9-17)15-31-23(22)25-21(26)13-11-16-10-12-19(28-2)20(14-16)29-3/h5-15H,4H2,1-3H3,(H,25,26) |
| InChIK | OAXUARBIMLUDHS-UHFFFAOYSA-N |
| TotalMolweight | 437.515 |
| Molweight | 437.515 |
| MonoisotopicMass | 437.129694 |
| CLogP | 4.9488 |
| CLogS | -6.111 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 342.72 |
| Relative PSA | 0.25648 |
| PolarSurfaceArea | 102.1 |
| Druglikeness | -2.2109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate | 2 - ethyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate
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