(Z)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
Formula:C22H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (Z)-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide |
| MolecularFormula | C22H15N2O2Br |
| Smiles | O=C(/C=C\c1ccccc1)Nc(cc1)cc2c1oc(-c(cccc1)c1Br)n2 |
| InChI | InChI=1S/C22H15BrN2O2/c23-18-9-5-4-8-17(18)22-25-19-14-16(11-12-20(19)27-22)24-21(26)13-10-15-6-2-1-3-7-15/h1-14H,(H,24,26) |
| InChIK | HZMJLPFWQKDPFZ-UHFFFAOYSA-N |
| TotalMolweight | 419.277 |
| Molweight | 419.277 |
| MonoisotopicMass | 418.031689 |
| CLogP | 5.5163 |
| CLogS | -7.322 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.17 |
| Relative PSA | 0.17087 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | -1.9255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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