N-(2-benzoylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
Formula:C27H27N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-benzoylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-(2-benzoylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide |
| MolecularFormula | C27H27N3O4S |
| Smiles | O=C(CN(CC1)CCN1S(/C=C/c1ccccc1)(=O)=O)Nc(cccc1)c1C(c1ccccc1)=O |
| InChI | InChI=1S/C27H27N3O4S/c31-26(28-25-14-8-7-13-24(25)27(32)23-11-5-2-6-12-23)21-29-16-18-30(19-17-29)35(33,34)20-15-22-9-3-1-4-10-22/h1-15,20H,16-19,21H2,(H,28,31) |
| InChIK | UCUKJGOAUBOFNR-UHFFFAOYSA-N |
| TotalMolweight | 489.594 |
| Molweight | 489.594 |
| MonoisotopicMass | 489.172227 |
| CLogP | 3.2601 |
| CLogS | -5.128 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 370.72 |
| Relative PSA | 0.19751 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | 5.8691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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