ethyl 2-(4-phenoxybutanoylamino)-5-phenylthiophene-3-carboxylate
Formula:C23H23NO4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
ethyl 2-(4-phenoxybutanoylamino)-5-phenylthiophene-3-carboxylate is not a drug-like molecule.
| MolName | ethyl 2-(4-phenoxybutanoylamino)-5-phenylthiophene-3-carboxylate |
| MolecularFormula | C23H23NO4S |
| Smiles | CCOC(c1c(NC(CCCOc2ccccc2)=O)sc(-c2ccccc2)c1)=O |
| InChI | InChI=1S/C23H23NO4S/c1-2-27-23(26)19-16-20(17-10-5-3-6-11-17)29-22(19)24-21(25)14-9-15-28-18-12-7-4-8-13-18/h3-8,10-13,16H,2,9,14-15H2,1H3,(H,24,25) |
| InChIK | LCZZBQYALBUINC-UHFFFAOYSA-N |
| TotalMolweight | 409.505 |
| Molweight | 409.505 |
| MonoisotopicMass | 409.134779 |
| CLogP | 5.4824 |
| CLogS | -6.046 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 322.98 |
| Relative PSA | 0.24119 |
| PolarSurfaceArea | 92.87 |
| Druglikeness | -4.0989 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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