2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
Formula:C27H20N3O2ClS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide |
| MolecularFormula | C27H20N3O2ClS2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(c1ccccc1cc1)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C27H20ClN3O2S2/c28-22-10-4-2-8-19(22)16-33-24-14-13-18-7-1-3-9-20(18)21(24)15-29-31-26(32)17-34-27-30-23-11-5-6-12-25(23)35-27/h1-15H,16-17H2,(H,31,32) |
| InChIK | DIIOEGQMRDUEOF-UHFFFAOYSA-N |
| TotalMolweight | 518.06 |
| Molweight | 518.06 |
| MonoisotopicMass | 517.068544 |
| CLogP | 7.0648 |
| CLogS | -8.782 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 381.08 |
| Relative PSA | 0.24885 |
| PolarSurfaceArea | 117.12 |
| Druglikeness | 4.4844 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide | 2 - 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
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