(E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Formula:C24H24N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C24H24N4O3S |
| Smiles | N#C/C(/C(NCc1cccs1)=O)=C\c1cn(CC(NCC2OCCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C24H24N4O3S/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/h1-2,4,6-8,10-11,15,19H,3,5,9,13-14,16H2,(H,26,29)(H,27,30)/t19-/m1/s1 |
| InChIK | VYAWUHXYHGOVGU-LJQANCHMSA-N |
| TotalMolweight | 448.546 |
| Molweight | 448.546 |
| MonoisotopicMass | 448.156911 |
| CLogP | 1.9697 |
| CLogS | -3.941 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 349.16 |
| Relative PSA | 0.2858 |
| PolarSurfaceArea | 124.39 |
| Druglikeness | 0.23454 |
| 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-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide | 2 - (E)-2-cyano-3-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
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