N-(3-chloro-4-fluorophenyl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide
N-(3-chloro-4-fluorophenyl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | Y043-7293 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N~2~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]isoleucinamide |
| Molecular Weight: | 419.9 |
| Molecular Formula: | C17 H23 Cl F N3 O4 S |
| Smiles: | CC[C@@H](C)[C@@H](C(Nc1ccc(c(c1)[Cl])F)=O)NC(NC1CCS(C1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2201 |
| logD: | 2.2006 |
| logSw: | -3.1699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.063 |
| InChI Key: | JOSDKEBCBKPBGK-GGYMPCQUSA-N |