3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-3627 |
| Compound Name: | 3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 457.54 |
| Molecular Formula: | C24 H27 N O6 S |
| Smiles: | CC(C)[C@@H](C(=O)Oc1cc(C)cc2c1C(C)=C(C)C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.1025 |
| logD: | 5.1024 |
| logSw: | -5.0243 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.22 |
| InChI Key: | VVMLRHRWJKZDDT-QFIPXVFZSA-N |