N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Compound characteristics
| Compound ID: | Y044-5440 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C16 H21 N3 O6 S |
| Smiles: | C1CS(CC1NC(NCCC(Nc1ccc2c(c1)OCCO2)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.3065 |
| logD: | -1.3066 |
| logSw: | -1.8888 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.162 |
| InChI Key: | XRILQOFQZSIRMU-GFCCVEGCSA-N |