N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0372 |
| Compound Name: | N-benzyl-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(ethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 457.95 |
| Molecular Formula: | C18 H20 Cl N3 O5 S2 |
| Smiles: | CCS(c1ncc(c(C(N(Cc2ccccc2)C2CCS(C2)(=O)=O)=O)n1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.123 |
| logD: | 1.123 |
| logSw: | -2.5298 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.309 |
| InChI Key: | OXNWCABILHMKAM-AWEZNQCLSA-N |