2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C23H18N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C23H18N4O4S2 |
| Smiles | [O-][N+](c1ccc(COc2c(/C=N\NC(CSc3nc(cccc4)c4s3)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C23H18N4O4S2/c28-22(15-32-23-25-19-6-2-4-8-21(19)33-23)26-24-13-17-5-1-3-7-20(17)31-14-16-9-11-18(12-10-16)27(29)30/h1-13H,14-15H2,(H,26,28) |
| InChIK | GHBOGMIZDMEJKE-UHFFFAOYSA-N |
| TotalMolweight | 478.552 |
| Molweight | 478.552 |
| MonoisotopicMass | 478.076946 |
| CLogP | 4.3428 |
| CLogS | -6.9 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 354.73 |
| Relative PSA | 0.35309 |
| PolarSurfaceArea | 162.94 |
| Druglikeness | -0.64426 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
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