N-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Chemical Structure Depiction of
N-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
N-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
Compound characteristics
| Compound ID: | C301-8927 |
| Compound Name: | N-benzyl-2-methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C18 H15 N3 O3 S2 |
| Smiles: | CC1=C(C(N2C(=N1)Sc1ccccc12)=O)S(NCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.262 |
| logD: | 2.2572 |
| logSw: | -2.6389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.442 |
| InChI Key: | KJXXHYLXZIYPOJ-UHFFFAOYSA-N |