8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y041-5210 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 504 |
| Molecular Formula: | C25 H26 Cl N O6 S |
| Smiles: | CC[C@H](C)[C@@H](C(=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4195 |
| logD: | 5.4195 |
| logSw: | -5.9457 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.507 |
| InChI Key: | OICNDWHYEQHTJF-WNSKOXEYSA-N |