4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
Formula:C25H24N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline is not a drug-like molecule.
| MolName | 4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline |
| MolecularFormula | C25H24N4O6S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCOCC2)(=O)=O)c1N/N=C(\C1)/c(cccc2)c2OC1c1ccccc1)=O |
| InChI | InChI=1S/C25H24N4O6S/c30-29(31)23-16-19(36(32,33)28-12-14-34-15-13-28)10-11-21(23)26-27-22-17-25(18-6-2-1-3-7-18)35-24-9-5-4-8-20(22)24/h1-11,16,25-26H,12-15,17H2/t25-/m1/s1 |
| InChIK | YKTMBAYIUBTCSS-RUZDIDTESA-N |
| TotalMolweight | 508.554 |
| Molweight | 508.554 |
| MonoisotopicMass | 508.141656 |
| CLogP | 4.562 |
| CLogS | -4.403 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 364.06 |
| Relative PSA | 0.28984 |
| PolarSurfaceArea | 134.43 |
| Druglikeness | -2.6759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline | 2 - 4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
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