3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Chemical Structure Depiction of
3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Compound characteristics
| Compound ID: | Y040-3434 |
| Compound Name: | 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C24 H25 N O6 S |
| Smiles: | Cc1ccc(cc1)S(N[C@@H](C)C(=O)Oc1cc(C)cc2c1C1CCCCC=1C(=O)O2)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.9157 |
| logD: | 4.9156 |
| logSw: | -4.7501 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.952 |
| InChI Key: | GVBGKZMFTWAQOQ-INIZCTEOSA-N |