methyl 4-{N-(4-fluorobenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(4-fluorobenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(4-fluorobenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-3774 |
| Compound Name: | methyl 4-{N-(4-fluorobenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 452.5 |
| Molecular Formula: | C21 H25 F N2 O6 S |
| Smiles: | Cc1c(C(CN(CC2CCCO2)S(c2ccc(cc2)F)(=O)=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3645 |
| logD: | 2.3645 |
| logSw: | -2.8168 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.399 |
| InChI Key: | KUGUVQOEXIAVFE-MRXNPFEDSA-N |