N-[4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
Formula:C21H17N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide is a drug-like molecule.
| MolName | N-[4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide |
| MolecularFormula | C21H17N3O4 |
| Smiles | O=C(/C=C/c1ccco1)NNC(c(cc1)ccc1NC(c1ccccc1)=O)=O |
| InChI | InChI=1S/C21H17N3O4/c25-19(13-12-18-7-4-14-28-18)23-24-21(27)16-8-10-17(11-9-16)22-20(26)15-5-2-1-3-6-15/h1-14H,(H,22,26)(H,23,25)(H,24,27) |
| InChIK | QGEIOWFNSSXUEV-UHFFFAOYSA-N |
| TotalMolweight | 375.383 |
| Molweight | 375.383 |
| MonoisotopicMass | 375.121907 |
| CLogP | 2.283 |
| CLogS | -4.874 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 296.6 |
| Relative PSA | 0.29538 |
| PolarSurfaceArea | 100.44 |
| Druglikeness | 1.1441 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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