5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0324 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-{[4-(propan-2-yl)phenyl]methyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 468.04 |
| Molecular Formula: | C21 H26 Cl N3 O3 S2 |
| Smiles: | CCSc1ncc(c(C(N(Cc2ccc(cc2)C(C)C)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8785 |
| logD: | 3.8785 |
| logSw: | -4.2195 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | DLLYNQOVLFRUKH-KRWDZBQOSA-N |