(2S)-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido](phenyl)acetic acid
Chemical Structure Depiction of
(2S)-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido](phenyl)acetic acid
(2S)-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido](phenyl)acetic acid
Compound characteristics
| Compound ID: | Y040-4423 |
| Compound Name: | (2S)-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamido](phenyl)acetic acid |
| Molecular Weight: | 401.8 |
| Molecular Formula: | C20 H16 Cl N O6 |
| Smiles: | CC1=C(CC(N[C@H](C(O)=O)c2ccccc2)=O)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ABSOLUTE |
| logP: | 2.3736 |
| logD: | -1.5008 |
| logSw: | -3.227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.668 |
| InChI Key: | BJEDTZOFRGHDDK-GOSISDBHSA-N |