1-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}piperidine-4-carboxylic acid
1-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y043-8754 |
| Compound Name: | 1-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}piperidine-4-carboxylic acid |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C27 H25 N O6 |
| Smiles: | CC1=C(CC(N2CCC(CC2)C(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6844 |
| logD: | 1.1314 |
| logSw: | -3.8719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.977 |
| InChI Key: | XEXUPWPOONAPFZ-UHFFFAOYSA-N |