N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | Y043-7295 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C19 H27 N3 O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(Nc1ccc2c(c1)OCCO2)=O)NC(NC1CCS(C1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4625 |
| logD: | 0.4624 |
| logSw: | -2.2501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.886 |
| InChI Key: | SDKATICATBGEBK-YTQWVHSASA-N |