N-[(E)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
Formula:C25H23N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-thiophen-2-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C25H23N3O3S |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N(CC(C1)CN23)CC1C3=CC=CC2=O |
| InChI | InChI=1S/C25H23N3O3S/c29-23-10-4-9-22-19-12-17(15-28(22)23)14-27(16-19)25(31)21(13-20-8-5-11-32-20)26-24(30)18-6-2-1-3-7-18/h1-11,13,17,19H,12,14-16H2,(H,26,30) |
| InChIK | LUHBUTLSMBDDJZ-UHFFFAOYSA-N |
| TotalMolweight | 445.542 |
| Molweight | 445.542 |
| MonoisotopicMass | 445.146012 |
| CLogP | 3.621 |
| CLogS | -4.149 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 329.73 |
| Relative PSA | 0.23668 |
| PolarSurfaceArea | 97.96 |
| Druglikeness | 6.0496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(E)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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