5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0782 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 482.06 |
| Molecular Formula: | C22 H28 Cl N3 O3 S2 |
| Smiles: | CC(C)c1ccc(CN(C2CCS(C2)(=O)=O)C(c2c(cnc(n2)SC(C)C)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2825 |
| logD: | 4.2825 |
| logSw: | -4.4336 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | DWMUHECMEBQKQF-SFHVURJKSA-N |