methyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
methyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-3210 |
| Compound Name: | methyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(oxolan-2-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C23 H30 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(N(CC1CCCO1)CC(c1c(C)c(C(=O)OC)n(C)c1C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5848 |
| logD: | 2.5848 |
| logSw: | -2.785 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.226 |
| InChI Key: | WFUYTRGQJLTBFC-GOSISDBHSA-N |