N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C32H27N3O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C32H27N3O5S2 |
| Smiles | O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C32H27N3O5S2/c36-32(27-14-16-28(17-15-27)35-42(37,38)31-12-7-19-41-31)34-33-21-26-13-18-29(39-22-24-8-3-1-4-9-24)30(20-26)40-23-25-10-5-2-6-11-25/h1-21,35H,22-23H2,(H,34,36) |
| InChIK | PFHJGLNYZZKLDV-UHFFFAOYSA-N |
| TotalMolweight | 597.714 |
| Molweight | 597.714 |
| MonoisotopicMass | 597.139212 |
| CLogP | 6.186 |
| CLogS | -7.653 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 449.77 |
| Relative PSA | 0.25882 |
| PolarSurfaceArea | 142.71 |
| Druglikeness | 1.0572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54762 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 11 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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