N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0206 |
| Compound Name: | N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 411.93 |
| Molecular Formula: | C17 H18 Cl N3 O3 S2 |
| Smiles: | CSc1ncc(c(C(N(Cc2ccccc2)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1418 |
| logD: | 2.1418 |
| logSw: | -2.6909 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | GWUFXTUZPXYCEI-ZDUSSCGKSA-N |