N-[(Z)-1-(2-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]cyclohexanecarboxamide
Formula:C27H30N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-1-(2-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]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-1-(2-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]cyclohexanecarboxamide |
| MolecularFormula | C27H30N3O3F |
| Smiles | O=C(C1CCCCC1)N/C(/C(N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=C\c(cccc1)c1F |
| InChI | InChI=1S/C27H30FN3O3/c28-22-10-5-4-9-20(22)14-23(29-26(33)19-7-2-1-3-8-19)27(34)30-15-18-13-21(17-30)24-11-6-12-25(32)31(24)16-18/h4-6,9-12,14,18-19,21H,1-3,7-8,13,15-17H2,(H,29,33) |
| InChIK | JWVWCLCWQULXKF-UHFFFAOYSA-N |
| TotalMolweight | 463.551 |
| Molweight | 463.551 |
| MonoisotopicMass | 463.22712 |
| CLogP | 3.7555 |
| CLogS | -4.609 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 348.18 |
| Relative PSA | 0.16566 |
| PolarSurfaceArea | 69.72 |
| Druglikeness | -0.71788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-1-(2-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]cyclohexanecarboxamide | 2 - N-[(Z)-1-(2-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]cyclohexanecarboxamide
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