N-(4-chlorophenyl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
N-(4-chlorophenyl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Compound characteristics
| Compound ID: | Y044-5439 |
| Compound Name: | N-(4-chlorophenyl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide |
| Molecular Weight: | 359.83 |
| Molecular Formula: | C14 H18 Cl N3 O4 S |
| Smiles: | C1CS(CC1NC(NCCC(Nc1ccc(cc1)[Cl])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3157 |
| logD: | 0.3154 |
| logSw: | -2.461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.339 |
| InChI Key: | MSSPFFXWSLMQEF-LBPRGKRZSA-N |