5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D053-0290 |
Compound Name: | 5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)pyrimidine-4-carboxamide |
Molecular Weight: | 486.99 |
Molecular Formula: | C19 H23 Cl N4 O5 S2 |
Smiles: | CN(C)c1ccc(CN(C2CCS(C2)(=O)=O)C(c2c(cnc(n2)S(C)(=O)=O)[Cl])=O)cc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 0.5624 |
logD: | 0.547 |
logSw: | -2.4105 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 95.826 |
InChI Key: | KISNPHRTRQPYQQ-HNNXBMFYSA-N |