methyl 1-methyl-4-{2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1-methyl-4-{2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1H-pyrrole-2-carboxylate
methyl 1-methyl-4-{2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0170 |
| Compound Name: | methyl 1-methyl-4-{2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C20 H22 N4 O5 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(C1CCCN1S(c1cc(C(=O)OC)n(C)c1)(=O)=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.57 |
| logD: | 2.5693 |
| logSw: | -2.9409 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.123 |
| InChI Key: | PCSDCTNNHJIEBV-HNNXBMFYSA-N |