methyl 4-(2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-(2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0100 |
| Compound Name: | methyl 4-(2-{[4-(ethoxycarbonyl)phenyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C21 H25 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CCCN1S(c1cc(C(=O)OC)n(C)c1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8347 |
| logD: | 1.8325 |
| logSw: | -2.5347 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.115 |
| InChI Key: | PIJFTLZYHOBMTN-KRWDZBQOSA-N |