N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C24H17N3O2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C24H17N3O2S2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(o1)ccc1Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C24H17N3O2S2/c28-22(14-17-8-5-7-16-6-1-2-9-19(16)17)27-25-15-18-12-13-23(29-18)31-24-26-20-10-3-4-11-21(20)30-24/h1-13,15H,14H2,(H,27,28) |
| InChIK | NRHHFFFETPGONQ-UHFFFAOYSA-N |
| TotalMolweight | 443.55 |
| Molweight | 443.55 |
| MonoisotopicMass | 443.076217 |
| CLogP | 6.0032 |
| CLogS | -7.359 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 331.59 |
| Relative PSA | 0.29838 |
| PolarSurfaceArea | 121.03 |
| Druglikeness | 6.6875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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