N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H15N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H15N2O3FS |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C1/c(cc(cc2)F)c2SCC1 |
| InChI | InChI=1S/C18H15FN2O3S/c19-11-5-6-17-12(9-11)13(7-8-25-17)20-21-18(22)16-10-23-14-3-1-2-4-15(14)24-16/h1-6,9,16H,7-8,10H2,(H,21,22)/t16-/m0/s1 |
| InChIK | TWXRPCRUEICZNH-INIZCTEOSA-N |
| TotalMolweight | 358.392 |
| Molweight | 358.392 |
| MonoisotopicMass | 358.078741 |
| CLogP | 2.5499 |
| CLogS | -5.313 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.82 |
| Relative PSA | 0.28731 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | 2.8436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off