4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline
Formula:C23H22N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline is a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C23H22N4O6S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C\c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C23H22N4O6S/c28-27(29)23-16-21(34(30,31)26-11-13-32-14-12-26)9-10-22(23)25-24-17-18-5-4-8-20(15-18)33-19-6-2-1-3-7-19/h1-10,15-17,25H,11-14H2 |
| InChIK | LDPQTGHRPDEUDH-UHFFFAOYSA-N |
| TotalMolweight | 482.516 |
| Molweight | 482.516 |
| MonoisotopicMass | 482.126006 |
| CLogP | 4.3577 |
| CLogS | -5.112 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 353.09 |
| Relative PSA | 0.29885 |
| PolarSurfaceArea | 134.43 |
| Druglikeness | -4.3908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline | 2 - 4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off