5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0442 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 500.03 |
| Molecular Formula: | C21 H26 Cl N3 O5 S2 |
| Smiles: | CCCS(c1ncc(c(C(N(Cc2ccc(CC)cc2)C2CCS(C2)(=O)=O)=O)n1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5084 |
| logD: | 2.5084 |
| logSw: | -2.9358 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.309 |
| InChI Key: | LOTOVMZRBRYLCU-KRWDZBQOSA-N |