5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-propoxyphenyl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-propoxyphenyl)methyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-propoxyphenyl)methyl]pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0336 |
Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-propoxyphenyl)methyl]pyrimidine-4-carboxamide |
Molecular Weight: | 484.04 |
Molecular Formula: | C21 H26 Cl N3 O4 S2 |
Smiles: | CCCOc1ccc(CN(C2CCS(C2)(=O)=O)C(c2c(cnc(n2)SCC)[Cl])=O)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4997 |
logD: | 3.4997 |
logSw: | -3.5988 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 69.863 |
InChI Key: | RFHPADPTMXNEKE-INIZCTEOSA-N |