4-{[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
4-{[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y040-4396 |
| Compound Name: | 4-{[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C22 H27 N O6 |
| Smiles: | CC1=C(CC(NC[C@H]2CC[C@@H](CC2)C(O)=O)=O)C(=O)Oc2c1ccc(c2C)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5689 |
| logD: | 0.0086 |
| logSw: | -2.9643 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.275 |
| InChI Key: | RRPNRAOSIKSLHI-UHFFFAOYSA-N |