4-[(E)-3-(4-benzhydrylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
Formula:C31H31N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-3-(4-benzhydrylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide is not a drug-like molecule.
| MolName | 4-[(E)-3-(4-benzhydrylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide |
| MolecularFormula | C31H31N3O4S |
| Smiles | O=C(/C=C/c(cc1)ccc1S(NCc1ccco1)(=O)=O)N(CC1)CCN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C31H31N3O4S/c35-30(18-15-25-13-16-29(17-14-25)39(36,37)32-24-28-12-7-23-38-28)33-19-21-34(22-20-33)31(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-18,23,31-32H,19-22,24H2 |
| InChIK | CMLJYMBFJDAZRG-UHFFFAOYSA-N |
| TotalMolweight | 541.67 |
| Molweight | 541.67 |
| MonoisotopicMass | 541.203527 |
| CLogP | 4.6386 |
| CLogS | -4.339 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 414.92 |
| Relative PSA | 0.17905 |
| PolarSurfaceArea | 91.24 |
| Druglikeness | 8.1406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5641 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 13 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-[(E)-3-(4-benzhydrylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide | 2 - 4-[(E)-3-(4-benzhydrylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
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