methyl 5-{rel-(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate
Chemical Structure Depiction of
methyl 5-{rel-(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate
methyl 5-{rel-(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate
Compound characteristics
| Compound ID: | 8019-8497 |
| Compound Name: | methyl 5-{rel-(2R,3S,4R)-3-chloro-4-[(methoxycarbonyl)amino]thiolan-2-yl}pentanoate |
| Molecular Weight: | 309.81 |
| Molecular Formula: | C12 H20 Cl N O4 S |
| Smiles: | COC(CCCC[C@@H]1[C@H]([C@@H](CS1)NC(=O)OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0785 |
| logD: | 2.0785 |
| logSw: | -2.2475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.485 |
| InChI Key: | RVBCICRKXVNKTK-ATZCPNFKSA-N |