4-({2-[(6-methyl-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-[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
4-({2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | D715-1289 |
| Compound Name: | 4-({2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H27 N O6 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OCC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4507 |
| logD: | -0.1096 |
| logSw: | -2.94 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.517 |
| InChI Key: | QNTBHYIWBSPSMN-UHFFFAOYSA-N |