N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C23H17N2O2BrS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C23H17N2O2BrS |
| Smiles | O=C(c1cccs1)N/N=C\c(cc1)cc(Br)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C23H17BrN2O2S/c24-20-13-16(14-25-26-23(27)22-9-4-12-29-22)10-11-21(20)28-15-18-7-3-6-17-5-1-2-8-19(17)18/h1-14H,15H2,(H,26,27) |
| InChIK | JKQMQYBTVITEBZ-UHFFFAOYSA-N |
| TotalMolweight | 465.37 |
| Molweight | 465.37 |
| MonoisotopicMass | 464.019409 |
| CLogP | 6.3359 |
| CLogS | -7.512 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 319.68 |
| Relative PSA | 0.20761 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 4.1187 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| StereoCon |
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