3-morpholin-4-ylsulfonyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
Formula:C22H25N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ylsulfonyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide is a drug-like molecule.
| MolName | 3-morpholin-4-ylsulfonyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide |
| MolecularFormula | C22H25N3O4S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C(/CCCC1)\c2c1cccc2 |
| InChI | InChI=1S/C22H25N3O4S/c26-22(24-23-21-11-4-2-7-17-6-1-3-10-20(17)21)18-8-5-9-19(16-18)30(27,28)25-12-14-29-15-13-25/h1,3,5-6,8-10,16H,2,4,7,11-15H2,(H,24,26) |
| InChIK | ZFAQFDKSPAHHKL-UHFFFAOYSA-N |
| TotalMolweight | 427.524 |
| Molweight | 427.524 |
| MonoisotopicMass | 427.156577 |
| CLogP | 3.2591 |
| CLogS | -4.146 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 317.16 |
| Relative PSA | 0.24637 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -5.6604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 3-morpholin-4-ylsulfonyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide | 2 - 3-morpholin-4-ylsulfonyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
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