2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
Formula:C23H19N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H19N3O3S |
| Smiles | O=C(CN(c1cccc2cccc3c12)C3=O)N/N=C\c1cccc(OC2CSC2)c1 |
| InChI | InChI=1S/C23H19N3O3S/c27-21(25-24-11-15-4-1-7-17(10-15)29-18-13-30-14-18)12-26-20-9-3-6-16-5-2-8-19(22(16)20)23(26)28/h1-11,18H,12-14H2,(H,25,27) |
| InChIK | MEUITPTYUQSQNP-UHFFFAOYSA-N |
| TotalMolweight | 417.488 |
| Molweight | 417.488 |
| MonoisotopicMass | 417.114712 |
| CLogP | 3.5642 |
| CLogS | -6.34 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.91 |
| Relative PSA | 0.26353 |
| PolarSurfaceArea | 96.3 |
| Druglikeness | 6.8576 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide | 2 - 2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
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