N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
Formula:C19H18N4O7F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline |
| MolecularFormula | C19H18N4O7F4S |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C/c(ccc(OC(F)F)c1)c1OC(F)F)=O |
| InChI | InChI=1S/C19H18F4N4O7S/c20-18(21)33-14-3-1-12(16(10-14)34-19(22)23)11-24-25-15-4-2-13(27(28)29)9-17(15)35(30,31)26-5-7-32-8-6-26/h1-4,9-11,18-19,25H,5-8H2 |
| InChIK | VCRGRFQPNGIQKC-UHFFFAOYSA-N |
| TotalMolweight | 522.431 |
| Molweight | 522.431 |
| MonoisotopicMass | 522.083233 |
| CLogP | 3.3009 |
| CLogS | -4.059 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 353.73 |
| Relative PSA | 0.32658 |
| PolarSurfaceArea | 143.66 |
| Druglikeness | -7.3842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline | 2 - N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
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