methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-1981 |
| Compound Name: | methyl 4-[N-(3-ethoxypropyl)-N-(4-fluorobenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C21 H27 F N2 O6 S |
| Smiles: | CCOCCCN(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7761 |
| logD: | 2.7761 |
| logSw: | -3.2691 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.972 |
| InChI Key: | IAJRSISPODAZFC-UHFFFAOYSA-N |