5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(thiophen-2-yl)methyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(thiophen-2-yl)methyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(thiophen-2-yl)methyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0379 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)-N-[(thiophen-2-yl)methyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C16 H18 Cl N3 O5 S3 |
| Smiles: | CCS(c1ncc(c(C(N(Cc2cccs2)C2CCS(C2)(=O)=O)=O)n1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0931 |
| logD: | 1.0931 |
| logSw: | -2.5806 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.327 |
| InChI Key: | DKKXAIRZSCVHQQ-NSHDSACASA-N |