2,5-dichloro-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:C25H21N3O3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,5-dichloro-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 not a drug-like molecule.
| MolName | 2,5-dichloro-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 | C25H21N3O3Cl2S |
| Smiles | O=C(/C(/NC(c(cc(cc1)Cl)c1Cl)=O)=C\c1cccs1)N(CC(C1)CN23)CC1C3=CC=CC2=O |
| InChI | InChI=1S/C25H21Cl2N3O3S/c26-17-6-7-20(27)19(10-17)24(32)28-21(11-18-3-2-8-34-18)25(33)29-12-15-9-16(14-29)22-4-1-5-23(31)30(22)13-15/h1-8,10-11,15-16H,9,12-14H2,(H,28,32) |
| InChIK | FQICJKJBDXIGIP-UHFFFAOYSA-N |
| TotalMolweight | 514.432 |
| Molweight | 514.432 |
| MonoisotopicMass | 513.068066 |
| CLogP | 4.833 |
| CLogS | -5.621 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.57 |
| Relative PSA | 0.21644 |
| PolarSurfaceArea | 97.96 |
| Druglikeness | 6.0885 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 - 2,5-dichloro-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 - 2,5-dichloro-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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