N-[1,4-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]naphthalen-2-yl]benzenesulfonamide
Formula:C29H27N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[1,4-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]naphthalen-2-yl]benzenesulfonamide is not a drug-like molecule.
| MolName | N-[1,4-dioxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]naphthalen-2-yl]benzenesulfonamide |
| MolecularFormula | C29H27N3O4S |
| Smiles | O=C(c(cccc1)c1C1=O)C(NS(c2ccccc2)(=O)=O)=C1N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C29H27N3O4S/c33-28-24-15-7-8-16-25(24)29(34)27(26(28)30-37(35,36)23-13-5-2-6-14-23)32-20-18-31(19-21-32)17-9-12-22-10-3-1-4-11-22/h1-16,30H,17-21H2 |
| InChIK | QCNWGPBYOYFUEV-UHFFFAOYSA-N |
| TotalMolweight | 513.616 |
| Molweight | 513.616 |
| MonoisotopicMass | 513.172227 |
| CLogP | 4.0585 |
| CLogS | -4.735 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 380.14 |
| Relative PSA | 0.19261 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | -2.7799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 2,3-diamino-quinone |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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