[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C30H25N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C30H25N3O4 |
| Smiles | N#CCCN(C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)=O)c1ccccc1 |
| InChI | InChI=1S/C30H25N3O4/c31-16-8-17-33(22-10-2-1-3-11-22)27(34)20-37-30(35)28-24-13-4-5-15-26(24)32-29-21(9-6-14-25(28)29)19-23-12-7-18-36-23/h1-5,7,10-13,15,18-19H,6,8-9,14,17,20H2 |
| InChIK | VGIDPGIUZDLWFF-UHFFFAOYSA-N |
| TotalMolweight | 491.546 |
| Molweight | 491.546 |
| MonoisotopicMass | 491.184507 |
| CLogP | 4.933 |
| CLogS | -6.591 |
| H Acceptors | 7 |
| TotalSurfaceArea | 387.11 |
| Relative PSA | 0.20219 |
| PolarSurfaceArea | 96.43 |
| Druglikeness | -5.7359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off