4-{[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]methyl}cyclohexane-1-carboxylic acid
4-{[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-2129 |
| Compound Name: | 4-{[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 467.56 |
| Molecular Formula: | C27 H33 N O6 |
| Smiles: | CC1=C(CCC(NC[C@H]2CC[C@@H](CC2)C(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.0245 |
| logD: | 1.4642 |
| logSw: | -4.1398 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.52 |
| InChI Key: | NFIYTYXXELJWIG-UHFFFAOYSA-N |