N~2~-butyl-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N~2~-butyl-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]glycinamide
N~2~-butyl-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
Compound ID: | V001-1326 |
Compound Name: | N~2~-butyl-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]glycinamide |
Molecular Weight: | 576.13 |
Molecular Formula: | C29 H35 Cl F N3 O4 S |
Smiles: | CCCCN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1ccc(C)s1)=O)C(Nc1ccc(c(c1)[Cl])F)=O |
Stereo: | ACHIRAL |
logP: | 6.1608 |
logD: | 6.1604 |
logSw: | -6.0821 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.19 |
InChI Key: | RAGOYBJSTZXMQM-UHFFFAOYSA-N |