(3E)-N-(2-bromophenyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
Formula:C24H17N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-N-(2-bromophenyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide is not a drug-like molecule.
| MolName | (3E)-N-(2-bromophenyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide |
| MolecularFormula | C24H17N2OBrS |
| Smiles | O=C(c1c(CC/C2=C\c3cccs3)c2nc2ccccc12)Nc(cccc1)c1Br |
| InChI | InChI=1S/C24H17BrN2OS/c25-19-8-2-4-10-21(19)27-24(28)22-17-7-1-3-9-20(17)26-23-15(11-12-18(22)23)14-16-6-5-13-29-16/h1-10,13-14H,11-12H2,(H,27,28) |
| InChIK | SJHYXZRGABONPA-UHFFFAOYSA-N |
| TotalMolweight | 461.382 |
| Molweight | 461.382 |
| MonoisotopicMass | 460.024494 |
| CLogP | 6.0805 |
| CLogS | -6.886 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 308.65 |
| Relative PSA | 0.18088 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 0.48635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-N-(2-bromophenyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide | 2 - (3E)-N-(2-bromophenyl)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off