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 |