N-[(Z)-1-(3-bromophenyl)-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:C27H30N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-(3-bromophenyl)-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 not a drug-like molecule.
| MolName | N-[(Z)-1-(3-bromophenyl)-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 | C27H30N3O3Br |
| Smiles | O=C(C1CCCCC1)N/C(/C(N(CC(C1)CN23)CC1C3=CC=CC2=O)=O)=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C27H30BrN3O3/c28-22-9-4-6-18(13-22)14-23(29-26(33)20-7-2-1-3-8-20)27(34)30-15-19-12-21(17-30)24-10-5-11-25(32)31(24)16-19/h4-6,9-11,13-14,19-21H,1-3,7-8,12,15-17H2,(H,29,33) |
| InChIK | NNKPMKGVUMAUKO-UHFFFAOYSA-N |
| TotalMolweight | 524.457 |
| Molweight | 524.457 |
| MonoisotopicMass | 523.147053 |
| CLogP | 4.3799 |
| CLogS | -5.129 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.46 |
| Relative PSA | 0.16002 |
| PolarSurfaceArea | 69.72 |
| Druglikeness | -1.1679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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-(3-bromophenyl)-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-(3-bromophenyl)-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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