5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0450 |
Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
Molecular Weight: | 489.97 |
Molecular Formula: | C19 H21 Cl F N3 O5 S2 |
Smiles: | CCCS(c1ncc(c(C(N(Cc2ccc(cc2)F)C2CCS(C2)(=O)=O)=O)n1)[Cl])(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.6068 |
logD: | 1.6068 |
logSw: | -2.6551 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 92.309 |
InChI Key: | ZBUWNXAKKFSIIE-HNNXBMFYSA-N |