4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y041-1431 |
| Compound Name: | 4-(4-methoxyphenyl)-8-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 549.64 |
| Molecular Formula: | C30 H31 N O7 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C(=CC(=O)Oc2c1C)c1ccc(cc1)OC)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9076 |
| logD: | 5.9075 |
| logSw: | -5.5253 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.662 |
| InChI Key: | AVSJMWHVKMEQPC-GDJIYFAZSA-N |