(2Z)-5-amino-6,8-bis(benzenesulfonyl)-2-benzylidene-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridin-3-one
Formula:C32H24N2O5S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-5-amino-6,8-bis(benzenesulfonyl)-2-benzylidene-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridin-3-one is not a drug-like molecule.
| MolName | (2Z)-5-amino-6,8-bis(benzenesulfonyl)-2-benzylidene-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridin-3-one |
| MolecularFormula | C32H24N2O5S3 |
| Smiles | NC(N(C(/C(/S1)=C/c2ccccc2)=O)C1=C(C1c2ccccc2)S(c2ccccc2)(=O)=O)=C1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C32H24N2O5S3/c33-30-28(41(36,37)24-17-9-3-10-18-24)27(23-15-7-2-8-16-23)29(42(38,39)25-19-11-4-12-20-25)32-34(30)31(35)26(40-32)21-22-13-5-1-6-14-22/h1-21,27H,33H2/t27-/m1/s1 |
| InChIK | NHCWQCRPPVUVER-HHHXNRCGSA-N |
| TotalMolweight | 612.75 |
| Molweight | 612.75 |
| MonoisotopicMass | 612.084733 |
| CLogP | 5.0742 |
| CLogS | -9.274 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 419.81 |
| Relative PSA | 0.25371 |
| PolarSurfaceArea | 156.67 |
| Druglikeness | -5.0034 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.35714 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-5-amino-6,8-bis(benzenesulfonyl)-2-benzylidene-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridin-3-one | 2 - (2Z)-5-amino-6,8-bis(benzenesulfonyl)-2-benzylidene-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridin-3-one
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