6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-D-valinate
Chemical Structure Depiction of
6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-D-valinate
6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-D-valinate
Compound characteristics
| Compound ID: | Y040-3630 |
| Compound Name: | 6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl N-(4-methylbenzene-1-sulfonyl)-D-valinate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C25 H27 N O6 S |
| Smiles: | CC(C)[C@H](C(=O)Oc1ccc2C3CCCCC=3C(=O)Oc2c1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.1315 |
| logD: | 5.1314 |
| logSw: | -4.9346 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.054 |
| InChI Key: | MYSPCPJJRGUSOK-QHCPKHFHSA-N |