(E)-3-(furan-2-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide
Formula:C22H21N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]prop-2-enamide |
| MolecularFormula | C22H21N3O3S |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc1)ccc1N(CC1)CCN1C(c1cccs1)=O |
| InChI | InChI=1S/C22H21N3O3S/c26-21(10-9-19-3-1-15-28-19)23-17-5-7-18(8-6-17)24-11-13-25(14-12-24)22(27)20-4-2-16-29-20/h1-10,15-16H,11-14H2,(H,23,26) |
| InChIK | SGRNGCVULNWRIW-UHFFFAOYSA-N |
| TotalMolweight | 407.493 |
| Molweight | 407.493 |
| MonoisotopicMass | 407.130362 |
| CLogP | 3.4705 |
| CLogS | -4.247 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.01 |
| Relative PSA | 0.25193 |
| PolarSurfaceArea | 94.03 |
| Druglikeness | 6.7769 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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