methyl 1-ethyl-4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 1-ethyl-4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-7989 |
| Compound Name: | methyl 1-ethyl-4-[N-(4-fluorobenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C22 H27 F N2 O5 S |
| Smiles: | CCn1c(C)c(C(C(C)N(CC=C)S(c2ccc(cc2)F)(=O)=O)=O)c(C)c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6489 |
| logD: | 3.6489 |
| logSw: | -4.1469 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.63 |
| InChI Key: | HXLYZPHSKHKSJB-INIZCTEOSA-N |