methyl 1-methyl-4-(2-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1-methyl-4-(2-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylate
methyl 1-methyl-4-(2-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0069 |
| Compound Name: | methyl 1-methyl-4-(2-{[(4-methylphenyl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | Cc1ccc(CNC(C2CCCN2S(c2cc(C(=O)OC)n(C)c2)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2573 |
| logD: | 1.2573 |
| logSw: | -2.4218 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.683 |
| InChI Key: | XNEQFIVRYVVNLR-KRWDZBQOSA-N |