5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0530 |
| Compound Name: | 5-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 483.05 |
| Molecular Formula: | C21 H27 Cl N4 O3 S2 |
| Smiles: | CCCSc1ncc(c(C(N(Cc2ccc(cc2)N(C)C)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9636 |
| logD: | 2.9482 |
| logSw: | -3.3159 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.25 |
| InChI Key: | AOJCWPCKBZJKSV-KRWDZBQOSA-N |