ethyl 4-[(2-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-oxoethyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-oxoethyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[(2-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-oxoethyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-0826 |
| Compound Name: | ethyl 4-[(2-{3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl}-2-oxoethyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C22 H29 F N4 O5 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(NCC(N1CCCN(Cc2ccc(cc2)F)C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9887 |
| logD: | 1.8703 |
| logSw: | -2.6217 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.211 |
| InChI Key: | SSSJMIOYJWOKNQ-UHFFFAOYSA-N |