4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y043-7932 |
| Compound Name: | 4-methyl-2-oxo-3-propyl-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 471.57 |
| Molecular Formula: | C25 H29 N O6 S |
| Smiles: | CCCC1=C(C)c2ccc(cc2OC1=O)OC([C@H](C(C)C)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.4081 |
| logD: | 5.408 |
| logSw: | -5.4306 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.133 |
| InChI Key: | YJWVNXRJLBVTEM-QHCPKHFHSA-N |