methyl 4-{2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-{2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0017 |
| Compound Name: | methyl 4-{2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C20 H22 N4 O6 S2 |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCCC1C(Nc1nc2ccc(cc2s1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.238 |
| logD: | 2.2375 |
| logSw: | -2.941 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.666 |
| InChI Key: | VVXXAGMFYOSLPW-HNNXBMFYSA-N |