(2,4-dimethylphenyl)[1,2-di(propane-1-sulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]methanone
Chemical Structure Depiction of
(2,4-dimethylphenyl)[1,2-di(propane-1-sulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]methanone
(2,4-dimethylphenyl)[1,2-di(propane-1-sulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]methanone
Compound characteristics
Compound ID: | 1950-0218 |
Compound Name: | (2,4-dimethylphenyl)[1,2-di(propane-1-sulfonyl)pyrrolo[2,1-a]isoquinolin-3-yl]methanone |
Molecular Weight: | 511.66 |
Molecular Formula: | C27 H29 N O5 S2 |
Smiles: | CCCS(c1c(c2c3ccccc3ccn2c1C(c1ccc(C)cc1C)=O)S(CCC)(=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8529 |
logD: | 4.8529 |
logSw: | -5.1945 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 69.741 |
InChI Key: | XWBXPNRAVZVQHC-UHFFFAOYSA-N |