6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate
Compound characteristics
| Compound ID: | Y041-1586 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-tryptophanate |
| Molecular Weight: | 551.02 |
| Molecular Formula: | C28 H23 Cl N2 O6 S |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OC([C@H](Cc1c[nH]c2ccccc12)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.5732 |
| logD: | 5.5731 |
| logSw: | -5.977 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.583 |
| InChI Key: | LDMLYMNFFQOMNV-DEOSSOPVSA-N |