N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
Formula:C20H20N4O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C20H20N4O3S2 |
| Smiles | O=S(c1ccccc1)(N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)=O |
| InChI | InChI=1S/C20H20N4O3S2/c25-29(26,17-9-5-2-6-10-17)23-21-15-18-19(16-7-3-1-4-8-16)22-20(28-18)24-11-13-27-14-12-24/h1-10,15,23H,11-14H2 |
| InChIK | OVSSYLHQJVPDHU-UHFFFAOYSA-N |
| TotalMolweight | 428.536 |
| Molweight | 428.536 |
| MonoisotopicMass | 428.097681 |
| CLogP | 3.4038 |
| CLogS | -3.64 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 314.12 |
| Relative PSA | 0.30698 |
| PolarSurfaceArea | 120.51 |
| Druglikeness | -2.2007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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