5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0323 |
Compound Name: | 5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 486.01 |
Molecular Formula: | C20 H24 Cl N3 O5 S2 |
Smiles: | CCSc1ncc(c(C(N(Cc2ccc(c(c2)OC)OC)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1133 |
logD: | 2.1133 |
logSw: | -2.9463 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 77.706 |
InChI Key: | GOMOWWVTPDJJJC-AWEZNQCLSA-N |