methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0151 |
| Compound Name: | methyl 4-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C20 H23 N3 O7 S |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCCC1C(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2059 |
| logD: | 0.205 |
| logSw: | -2.3716 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.184 |
| InChI Key: | SMKQGGMVGPQPGE-HNNXBMFYSA-N |