N-[(Z)-1-(3-fluorophenyl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]furan-2-carboxamide
Formula:C25H22N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-(3-fluorophenyl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-1-(3-fluorophenyl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C25H22N3O4F |
| Smiles | O=C(/C(/NC(c1ccco1)=O)=C/c1cccc(F)c1)N(CC(C1)CN23)CC1C3=CC=CC2=O |
| InChI | InChI=1S/C25H22FN3O4/c26-19-5-1-4-16(11-19)12-20(27-24(31)22-7-3-9-33-22)25(32)28-13-17-10-18(15-28)21-6-2-8-23(30)29(21)14-17/h1-9,11-12,17-18H,10,13-15H2,(H,27,31) |
| InChIK | HUXYIMQKOZRBMC-UHFFFAOYSA-N |
| TotalMolweight | 447.465 |
| Molweight | 447.465 |
| MonoisotopicMass | 447.159435 |
| CLogP | 3.0439 |
| CLogS | -4.135 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 329.83 |
| Relative PSA | 0.21766 |
| PolarSurfaceArea | 82.86 |
| Druglikeness | 3.328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Amides | 3 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-1-(3-fluorophenyl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(Z)-1-(3-fluorophenyl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]furan-2-carboxamide
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