4-(3-morpholin-4-ylsulfonylphenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-amine
Formula:C24H22N4O3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(3-morpholin-4-ylsulfonylphenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(3-morpholin-4-ylsulfonylphenyl)-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C24H22N4O3S2 |
| Smiles | O=S(c1cc(-c2csc(N/N=C\c3cccc4ccccc34)n2)ccc1)(N1CCOCC1)=O |
| InChI | InChI=1S/C24H22N4O3S2/c29-33(30,28-11-13-31-14-12-28)21-9-4-7-19(15-21)23-17-32-24(26-23)27-25-16-20-8-3-6-18-5-1-2-10-22(18)20/h1-10,15-17H,11-14H2,(H,26,27) |
| InChIK | CMYAINOMYRRFOV-UHFFFAOYSA-N |
| TotalMolweight | 478.596 |
| Molweight | 478.596 |
| MonoisotopicMass | 478.113331 |
| CLogP | 6.4536 |
| CLogS | -5.472 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 348.72 |
| Relative PSA | 0.27653 |
| PolarSurfaceArea | 120.51 |
| Druglikeness | 0.76567 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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