(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
Formula:C22H26N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one |
| MolecularFormula | C22H26N4O4S |
| Smiles | O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)N(CC1)CCN1c1ncccc1 |
| InChI | InChI=1S/C22H26N4O4S/c27-22(25-13-11-24(12-14-25)21-3-1-2-10-23-21)9-6-19-4-7-20(8-5-19)31(28,29)26-15-17-30-18-16-26/h1-10H,11-18H2 |
| InChIK | RCOFLJFUPBVYDY-UHFFFAOYSA-N |
| TotalMolweight | 442.538 |
| Molweight | 442.538 |
| MonoisotopicMass | 442.167476 |
| CLogP | 1.661 |
| CLogS | -1.979 |
| H Acceptors | 8 |
| TotalSurfaceArea | 328.59 |
| Relative PSA | 0.22289 |
| PolarSurfaceArea | 91.43 |
| Druglikeness | 6.67 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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