N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
Formula:C24H26N6O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline |
| MolecularFormula | C24H26N6O6S2 |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCOCC2)(=O)=O)c1N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)=O |
| InChI | InChI=1S/C24H26N6O6S2/c31-30(32)19-6-7-20(22(16-19)38(33,34)29-10-14-36-15-11-29)27-25-17-21-23(18-4-2-1-3-5-18)26-24(37-21)28-8-12-35-13-9-28/h1-7,16-17,27H,8-15H2 |
| InChIK | OHFTYMMXLJRUDM-UHFFFAOYSA-N |
| TotalMolweight | 558.638 |
| Molweight | 558.638 |
| MonoisotopicMass | 558.135524 |
| CLogP | 4.0888 |
| CLogS | -4.539 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 399.63 |
| Relative PSA | 0.35133 |
| PolarSurfaceArea | 178.8 |
| Druglikeness | -1.0749 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 12 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline | 2 - N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
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