methyl 5-[rel-(2R,3R,4S)-4-benzamido-3-chlorothiolan-2-yl]pentanoate
Chemical Structure Depiction of
methyl 5-[rel-(2R,3R,4S)-4-benzamido-3-chlorothiolan-2-yl]pentanoate
methyl 5-[rel-(2R,3R,4S)-4-benzamido-3-chlorothiolan-2-yl]pentanoate
Compound characteristics
| Compound ID: | 8019-8492 |
| Compound Name: | methyl 5-[rel-(2R,3R,4S)-4-benzamido-3-chlorothiolan-2-yl]pentanoate |
| Molecular Weight: | 355.88 |
| Molecular Formula: | C17 H22 Cl N O3 S |
| Smiles: | COC(CCCC[C@H]1[C@H]([C@@H](CS1)NC(c1ccccc1)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1262 |
| logD: | 3.1262 |
| logSw: | -3.3755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.712 |
| InChI Key: | CYFNCZCKUMVNJB-SQWLQELKSA-N |