5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0298 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methanesulfonyl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 457.95 |
| Molecular Formula: | C18 H20 Cl N3 O5 S2 |
| Smiles: | Cc1ccc(CN(C2CCS(C2)(=O)=O)C(c2c(cnc(n2)S(C)(=O)=O)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8958 |
| logD: | 0.8958 |
| logSw: | -2.5042 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.022 |
| InChI Key: | AGRIEOYSTIJTMB-AWEZNQCLSA-N |