methyl 4-{N-cyclohexyl-N-[3-(trifluoromethyl)benzene-1-sulfonyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-cyclohexyl-N-[3-(trifluoromethyl)benzene-1-sulfonyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-cyclohexyl-N-[3-(trifluoromethyl)benzene-1-sulfonyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V003-3146 |
| Compound Name: | methyl 4-{N-cyclohexyl-N-[3-(trifluoromethyl)benzene-1-sulfonyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C25 H31 F3 N2 O5 S |
| Smiles: | CCn1c(C)c(C(CN(C2CCCCC2)S(c2cccc(c2)C(F)(F)F)(=O)=O)=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.2659 |
| logD: | 5.2659 |
| logSw: | -5.3164 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.769 |
| InChI Key: | UVYJDIGERNFJIQ-UHFFFAOYSA-N |