4-({2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y040-8445 |
| Compound Name: | 4-({2-[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C22 H25 N O6 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OCC(NC[C@@H]1CC[C@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9184 |
| logD: | -0.6419 |
| logSw: | -2.6649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.746 |
| InChI Key: | GAMHDIDFJYINEW-UHFFFAOYSA-N |