(2S)-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido](phenyl)acetic acid
Chemical Structure Depiction of
(2S)-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido](phenyl)acetic acid
(2S)-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido](phenyl)acetic acid
Compound characteristics
| Compound ID: | Y041-1911 |
| Compound Name: | (2S)-[3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido](phenyl)acetic acid |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C28 H29 N O6 |
| Smiles: | CC1=C(CCC(N[C@H](C(O)=O)c2ccccc2)=O)C(=O)Oc2c1cc1c(coc1c2C)C(C)(C)C |
| Stereo: | ABSOLUTE |
| logP: | 4.2144 |
| logD: | 0.34 |
| logSw: | -4.3294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.597 |
| InChI Key: | PLCQFHMTOTVIMM-HSZRJFAPSA-N |