4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Chemical Structure Depiction of
4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate
Compound characteristics
| Compound ID: | Y040-8111 |
| Compound Name: | 4-oxo-8-propyl-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-phenylalaninate |
| Molecular Weight: | 545.65 |
| Molecular Formula: | C31 H31 N O6 S |
| Smiles: | CCCc1cc2C3CCCC=3C(=O)Oc2cc1OC([C@H](Cc1ccccc1)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 6.6954 |
| logD: | 6.6953 |
| logSw: | -5.7113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.513 |
| InChI Key: | BPKLDKRUGJQLGK-MHZLTWQESA-N |