4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y040-3690 |
| Compound Name: | 4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C27 H31 N O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C3CCCCC=3C(=O)Oc2c1C)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9531 |
| logD: | 5.953 |
| logSw: | -5.4045 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.825 |
| InChI Key: | FTVOPBJHRUNGHM-OSPHWJPCSA-N |