N-(2-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
Formula:C24H30N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-(2-morpholin-4-ylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide |
| MolecularFormula | C24H30N4O4S |
| Smiles | O=C(CN(CC1)CCN1S(/C=C/c1ccccc1)(=O)=O)Nc(cccc1)c1N1CCOCC1 |
| InChI | InChI=1S/C24H30N4O4S/c29-24(25-22-8-4-5-9-23(22)27-15-17-32-18-16-27)20-26-11-13-28(14-12-26)33(30,31)19-10-21-6-2-1-3-7-21/h1-10,19H,11-18,20H2,(H,25,29) |
| InChIK | OFFUYBHPORFYEU-UHFFFAOYSA-N |
| TotalMolweight | 470.592 |
| Molweight | 470.592 |
| MonoisotopicMass | 470.198776 |
| CLogP | 1.7991 |
| CLogS | -3.131 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 355.05 |
| Relative PSA | 0.20766 |
| PolarSurfaceArea | 90.57 |
| Druglikeness | 4.44 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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