4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y040-4048 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C23 H25 N O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C(C)=CC(=O)Oc2c1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3943 |
| logD: | 4.3942 |
| logSw: | -4.3359 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.619 |
| InChI Key: | GOPRETXYMFPZDN-QRQCRPRQSA-N |