N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-2-ylidene}-3,4-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-2-ylidene}-3,4-dimethoxybenzene-1-sulfonamide
N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-2-ylidene}-3,4-dimethoxybenzene-1-sulfonamide
Compound characteristics
Compound ID: | 8020-3633 |
Compound Name: | N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazinan-2-ylidene}-3,4-dimethoxybenzene-1-sulfonamide |
Molecular Weight: | 464.54 |
Molecular Formula: | C21 H28 N4 O6 S |
Smiles: | COc1ccc(CCN2CNC(NC2)=NS(c2ccc(c(c2)OC)OC)(=O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 1.2608 |
logD: | 0.9907 |
logSw: | -2.3973 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.227 |
InChI Key: | NESOVVCMMJEZEL-UHFFFAOYSA-N |