| MolName | furan-2-ylmethyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoate |
| MolecularFormula | C21H15NO4Cl2 |
| Smiles | O=C(/C(/NC(c(cccc1)c1Cl)=O)=C/c(cc1)ccc1Cl)OCc1ccco1 |
| InChI | InChI=1S/C21H15Cl2NO4/c22-15-9-7-14(8-10-15)12-19(21(26)28-13-16-4-3-11-27-16)24-20(25)17-5-1-2-6-18(17)23/h1-12H,13H2,(H,24,25) |
| InChIK | RVQBUXAFYCUCSB-UHFFFAOYSA-N |
| TotalMolweight | 416.259 |
| Molweight | 416.259 |
| MonoisotopicMass | 415.037813 |
| CLogP | 5.0081 |
| CLogS | -5.979 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 308.74 |
| Relative PSA | 0.19968 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | 2.3099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - furan-2-ylmethyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoate | 2 - furan-2-ylmethyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoate