N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
Formula:C18H18N4O6F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is a drug-like molecule.
| MolName | N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline |
| MolecularFormula | C18H18N4O6F2S |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C/c(cccc1)c1OC(F)F)=O |
| InChI | InChI=1S/C18H18F2N4O6S/c19-18(20)30-16-4-2-1-3-13(16)12-21-22-15-6-5-14(24(25)26)11-17(15)31(27,28)23-7-9-29-10-8-23/h1-6,11-12,18,22H,7-10H2 |
| InChIK | PODKEOJRCKTBHP-UHFFFAOYSA-N |
| TotalMolweight | 456.425 |
| Molweight | 456.425 |
| MonoisotopicMass | 456.091512 |
| CLogP | 3.1315 |
| CLogS | -3.437 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 318.53 |
| Relative PSA | 0.33127 |
| PolarSurfaceArea | 134.43 |
| Druglikeness | -5.7251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline | 2 - N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
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