5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0338 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethylsulfanyl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 443.94 |
| Molecular Formula: | C18 H19 Cl F N3 O3 S2 |
| Smiles: | CCSc1ncc(c(C(N(Cc2ccc(cc2)F)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5694 |
| logD: | 2.5694 |
| logSw: | -3.0086 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | PGFQHMOGRBTXJM-AWEZNQCLSA-N |