rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
Compound ID: | S836-3786 |
Compound Name: | rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide |
Molecular Weight: | 327.38 |
Molecular Formula: | C18 H21 N3 O3 |
Smiles: | CNC([C@@H]1CN(C[C@H]1COC)C(c1c2ccccc2ccn1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.6768 |
logD: | 0.6768 |
logSw: | -2.1506 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.925 |
InChI Key: | UZABCXZMQLMONM-DZGCQCFKSA-N |