5-chloro-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0526 |
Compound Name: | 5-chloro-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 474.43 |
Molecular Formula: | C19 H21 Cl2 N3 O3 S2 |
Smiles: | CCCSc1ncc(c(C(N(Cc2ccccc2[Cl])C2CCS(C2)(=O)=O)=O)n1)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.692 |
logD: | 3.692 |
logSw: | -3.7399 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 62.445 |
InChI Key: | WQXORJPQYIGKIO-AWEZNQCLSA-N |