N-[(E)-2,2-diphenylethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
Formula:C24H24N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,2-diphenylethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline is a drug-like molecule.
| MolName | N-[(E)-2,2-diphenylethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline |
| MolecularFormula | C24H24N4O5S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C/C(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C24H24N4O5S/c29-28(30)24-17-21(34(31,32)27-13-15-33-16-14-27)11-12-23(24)26-25-18-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,22,26H,13-16H2 |
| InChIK | POWAEVXHMDKSMZ-UHFFFAOYSA-N |
| TotalMolweight | 480.544 |
| Molweight | 480.544 |
| MonoisotopicMass | 480.146741 |
| CLogP | 4.1769 |
| CLogS | -3.851 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 355.59 |
| Relative PSA | 0.26862 |
| PolarSurfaceArea | 125.2 |
| Druglikeness | -3.4337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 11 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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