(1r,4r)-4-({2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | D715-1296 |
| Compound Name: | (1r,4r)-4-({2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C25 H31 N O6 |
| Smiles: | CC(C(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)Oc1cc(C)cc2c1C1CCCCC=1C(=O)O2 |
| Stereo: | ABSOLUTE |
| logP: | 4.1503 |
| logD: | 1.59 |
| logSw: | -4.1719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.97 |
| InChI Key: | LTYQOLVSUIPHPB-GTPINHCMSA-N |