3-morpholin-4-ylsulfonyl-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
Formula:C23H19N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide |
| MolecularFormula | C23H19N3O5S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C(\c1cccc2cccc3c12)/C3=O |
| InChI | InChI=1S/C23H19N3O5S/c27-22-19-9-3-5-15-4-2-8-18(20(15)19)21(22)24-25-23(28)16-6-1-7-17(14-16)32(29,30)26-10-12-31-13-11-26/h1-9,14H,10-13H2,(H,25,28) |
| InChIK | BADRCFLABQSHNQ-UHFFFAOYSA-N |
| TotalMolweight | 449.486 |
| Molweight | 449.486 |
| MonoisotopicMass | 449.104542 |
| CLogP | 2.8767 |
| CLogS | -5.123 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 314.47 |
| Relative PSA | 0.28995 |
| PolarSurfaceArea | 113.52 |
| Druglikeness | -1.7274 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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