N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | K284-6054 |
Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 638.06 |
Molecular Formula: | C29 H27 Cl F3 N3 O6 S |
Smiles: | COc1ccc(CCN2C(=Nc3cc(c(cc3C2=O)OC)OC)SCC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 5.2617 |
logD: | 5.2419 |
logSw: | -5.671 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.723 |
InChI Key: | UJSBLSZLDITKGT-UHFFFAOYSA-N |