(E)-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
Formula:C29H32N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide |
| MolecularFormula | C29H32N3O3FS |
| Smiles | O=C(CN(CCN1CCOCC1)C(/C=C/c1ccccc1)=O)N(Cc1cccs1)Cc(cc1)ccc1F |
| InChI | InChI=1S/C29H32FN3O3S/c30-26-11-8-25(9-12-26)21-33(22-27-7-4-20-37-27)29(35)23-32(15-14-31-16-18-36-19-17-31)28(34)13-10-24-5-2-1-3-6-24/h1-13,20H,14-19,21-23H2 |
| InChIK | PNVQQWCPUDGGGV-UHFFFAOYSA-N |
| TotalMolweight | 521.655 |
| Molweight | 521.655 |
| MonoisotopicMass | 521.21484 |
| CLogP | 3.5167 |
| CLogS | -3.494 |
| H Acceptors | 6 |
| TotalSurfaceArea | 408.31 |
| Relative PSA | 0.16431 |
| PolarSurfaceArea | 81.33 |
| Druglikeness | 2.6131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 11 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide | 2 - (E)-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
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