(2S)-[3-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido](phenyl)acetic acid
Chemical Structure Depiction of
(2S)-[3-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido](phenyl)acetic acid
(2S)-[3-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido](phenyl)acetic acid
Compound characteristics
| Compound ID: | D715-1507 |
| Compound Name: | (2S)-[3-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanamido](phenyl)acetic acid |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C23 H23 N O7 |
| Smiles: | CC1=C(CCC(N[C@H](C(O)=O)c2ccccc2)=O)C(=O)Oc2c1ccc(c2OC)OC |
| Stereo: | ABSOLUTE |
| logP: | 2.016 |
| logD: | -1.8583 |
| logSw: | -2.8227 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.152 |
| InChI Key: | AERCIJASRHZSIZ-IBGZPJMESA-N |