8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y041-4678 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C28 H24 Cl N O6 S |
| Smiles: | Cc1ccc(cc1)S(N[C@@H](Cc1ccccc1)C(=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.6906 |
| logD: | 5.6905 |
| logSw: | -5.9028 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.513 |
| InChI Key: | ULZMIESGBGYLOA-DEOSSOPVSA-N |