5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0318 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C19 H22 Cl N3 O4 S2 |
| Smiles: | CCSc1ncc(c(C(N(Cc2ccc(cc2)OC)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5227 |
| logD: | 2.5227 |
| logSw: | -2.9629 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.989 |
| InChI Key: | WAGZHQYGNQJXFI-AWEZNQCLSA-N |