ethyl 4-[N-(benzenesulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(benzenesulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(benzenesulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-5280 |
| Compound Name: | ethyl 4-[N-(benzenesulfonyl)-N-(2-methoxyethyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C21 H28 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CCOC)S(c2ccccc2)(=O)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.675 |
| logD: | 2.675 |
| logSw: | -2.9772 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.811 |
| InChI Key: | HQVVXBWNXGRRPV-INIZCTEOSA-N |