4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
Compound ID: | Y040-4494 |
Compound Name: | 4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
Molecular Weight: | 469.56 |
Molecular Formula: | C25 H27 N O6 S |
Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1)NS(c1ccc(C)cc1)(=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.7812 |
logD: | 4.7812 |
logSw: | -4.5598 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.42 |
InChI Key: | FHTZPDQLIGELRN-MWTRTKDXSA-N |