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 |