(4-morpholin-4-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C24H29N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-morpholin-4-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is a drug-like molecule.
| MolName | (4-morpholin-4-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C24H29N3O4S |
| Smiles | O=C(c(cc1)ccc1S(N1CCOCC1)(=O)=O)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C24H29N3O4S/c28-24(22-8-10-23(11-9-22)32(29,30)27-17-19-31-20-18-27)26-15-13-25(14-16-26)12-4-7-21-5-2-1-3-6-21/h1-11H,12-20H2 |
| InChIK | LBFCNNHVVOJRQQ-UHFFFAOYSA-N |
| TotalMolweight | 455.577 |
| Molweight | 455.577 |
| MonoisotopicMass | 455.187877 |
| CLogP | 2.6654 |
| CLogS | -1.874 |
| H Acceptors | 7 |
| TotalSurfaceArea | 343.59 |
| Relative PSA | 0.18123 |
| PolarSurfaceArea | 78.54 |
| Druglikeness | 7.0772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 9 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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