methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-4552 |
| Compound Name: | methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C19 H21 F N2 O5 S |
| Smiles: | Cc1c(C(CN(CC=C)S(c2ccc(cc2)F)(=O)=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8318 |
| logD: | 2.8318 |
| logSw: | -3.4788 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.994 |
| InChI Key: | OIWCTKJLOBIMTO-UHFFFAOYSA-N |