4-chloro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-phenylprop-1-en-2-yl]benzamide
Formula:C27H24N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-phenylprop-1-en-2-yl]benzamide |
| MolecularFormula | C27H24N3O3Cl |
| Smiles | O=C(/C(/NC(c(cc1)ccc1Cl)=O)=C/c1ccccc1)N(CC(C1)CN23)CC1C3=CC=CC2=O |
| InChI | InChI=1S/C27H24ClN3O3/c28-22-11-9-20(10-12-22)26(33)29-23(14-18-5-2-1-3-6-18)27(34)30-15-19-13-21(17-30)24-7-4-8-25(32)31(24)16-19/h1-12,14,19,21H,13,15-17H2,(H,29,33) |
| InChIK | YVKRWWVRJXZYDW-UHFFFAOYSA-N |
| TotalMolweight | 473.959 |
| Molweight | 473.959 |
| MonoisotopicMass | 473.150619 |
| CLogP | 4.3604 |
| CLogS | -4.875 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 349.21 |
| Relative PSA | 0.16517 |
| PolarSurfaceArea | 69.72 |
| Druglikeness | 4.9147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-chloro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-phenylprop-1-en-2-yl]benzamide | 2 - 4-chloro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-phenylprop-1-en-2-yl]benzamide
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