5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(4-ethylphenyl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(4-ethylphenyl)methyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(4-ethylphenyl)methyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0377 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(4-ethylphenyl)methyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 486.01 |
| Molecular Formula: | C20 H24 Cl N3 O5 S2 |
| Smiles: | CCc1ccc(CN(C2CCS(C2)(=O)=O)C(c2c(cnc(n2)S(CC)(=O)=O)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0537 |
| logD: | 2.0537 |
| logSw: | -2.6834 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.309 |
| InChI Key: | AWZDXWCFHHXAPN-INIZCTEOSA-N |