(E)-N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-phenylethenesulfonamide
Formula:C27H29N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-phenylethenesulfonamide is a drug-like molecule.
| MolName | (E)-N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-phenylethenesulfonamide |
| MolecularFormula | C27H29N3O3S |
| Smiles | O=C(CNS(/C=C/c1ccccc1)(=O)=O)N(CC1)CCN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C27H29N3O3S/c31-26(22-28-34(32,33)21-16-23-10-4-1-5-11-23)29-17-19-30(20-18-29)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,21,27-28H,17-20,22H2 |
| InChIK | CRHJGIFCWNDROF-UHFFFAOYSA-N |
| TotalMolweight | 475.611 |
| Molweight | 475.611 |
| MonoisotopicMass | 475.192962 |
| CLogP | 3.8734 |
| CLogS | -4.156 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 365.47 |
| Relative PSA | 0.16466 |
| PolarSurfaceArea | 78.1 |
| Druglikeness | 8.0811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 13 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-phenylethenesulfonamide | 2 - (E)-N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-phenylethenesulfonamide
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