4-phenyl-1-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]piperidine-4-carboxylic acid
Chemical Structure Depiction of
4-phenyl-1-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]piperidine-4-carboxylic acid
4-phenyl-1-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y040-4019 |
| Compound Name: | 4-phenyl-1-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]piperidine-4-carboxylic acid |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C29 H29 N O6 |
| Smiles: | CC1=C(CCC(N2CCC(CC2)(C(O)=O)c2ccccc2)=O)C(=O)Oc2cc3c(cc12)c(C)c(C)o3 |
| Stereo: | ACHIRAL |
| logP: | 3.9646 |
| logD: | 1.4234 |
| logSw: | -4.0711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.365 |
| InChI Key: | IMSCSHTYURQMGW-UHFFFAOYSA-N |