ethyl 4-[N-(benzenesulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(benzenesulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(benzenesulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V028-7496 |
| Compound Name: | ethyl 4-[N-(benzenesulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(CN(CC=C)S(c2ccccc2)(=O)=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9763 |
| logD: | 2.9763 |
| logSw: | -3.3439 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.574 |
| InChI Key: | SPOQTCPHWCFPMK-UHFFFAOYSA-N |