1-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid
Chemical Structure Depiction of
1-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid
1-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y041-1891 |
| Compound Name: | 1-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid |
| Molecular Weight: | 600.47 |
| Molecular Formula: | C32 H26 Br N O6 |
| Smiles: | CC1=C(CC(N2CCC(CC2)(C(O)=O)c2ccccc2)=O)C(=O)Oc2cc3c(cc12)c(co3)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.6922 |
| logD: | 3.151 |
| logSw: | -5.5016 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.706 |
| InChI Key: | JVTLZBKMNDSPSL-UHFFFAOYSA-N |