(E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C24H24N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C24H24N4O4 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1cn(CC(NCc2ccco2)=O)c2c1cccc2 |
| InChI | InChI=1S/C24H24N4O4/c25-12-17(24(30)27-14-20-6-4-10-32-20)11-18-15-28(22-8-2-1-7-21(18)22)16-23(29)26-13-19-5-3-9-31-19/h1-3,5,7-9,11,15,20H,4,6,10,13-14,16H2,(H,26,29)(H,27,30)/t20-/m1/s1 |
| InChIK | XDEYXGQJIQUITF-HXUWFJFHSA-N |
| TotalMolweight | 432.479 |
| Molweight | 432.479 |
| MonoisotopicMass | 432.179756 |
| CLogP | 1.2918 |
| CLogS | -3.613 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 342.91 |
| Relative PSA | 0.27278 |
| PolarSurfaceArea | 109.29 |
| Druglikeness | -1.3002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 8 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off