(E)-N-(4-bromophenyl)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
Formula:C27H19N2O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-N-(4-bromophenyl)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(4-bromophenyl)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C27H19N2O2Br |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Br)=O)=C\c(cccc1)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C27H19BrN2O2/c28-23-12-14-24(15-13-23)30-27(31)22(17-29)16-20-7-2-4-11-26(20)32-18-21-9-5-8-19-6-1-3-10-25(19)21/h1-16H,18H2,(H,30,31) |
| InChIK | SAFCMJIUWCITBM-UHFFFAOYSA-N |
| TotalMolweight | 483.364 |
| Molweight | 483.364 |
| MonoisotopicMass | 482.062989 |
| CLogP | 6.256 |
| CLogS | -7.551 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 345.4 |
| Relative PSA | 0.13914 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -3.7736 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(4-bromophenyl)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide | 2 - (E)-N-(4-bromophenyl)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
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