methyl 4-{2-[(3-bromophenyl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{2-[(3-bromophenyl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-{2-[(3-bromophenyl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0233 |
| Compound Name: | methyl 4-{2-[(3-bromophenyl)carbamoyl]pyrrolidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 470.34 |
| Molecular Formula: | C18 H20 Br N3 O5 S |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCCC1C(Nc1cccc(c1)[Br])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0414 |
| logD: | 2.0379 |
| logSw: | -2.8088 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.361 |
| InChI Key: | XQUAVINEGPWAPU-HNNXBMFYSA-N |