methyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V028-7625 |
| Compound Name: | methyl 4-[N-(4-methoxybenzene-1-sulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C21 H28 N2 O7 S |
| Salt: | not_available |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CCOC)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4838 |
| logD: | 2.4838 |
| logSw: | -2.8355 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.775 |
| InChI Key: | AEWSEINNTJNIBV-HNNXBMFYSA-N |