3-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
3-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E518-0971 |
| Compound Name: | 3-{[(2,3-dimethylcyclohexyl)amino]methyl}-1-[(4-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 438.54 |
| Molecular Formula: | C26 H31 F N2 O3 |
| Smiles: | CC1CCCC(C1C)NCc1c2ccc(cc2n(Cc2ccc(cc2)F)c1C(O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6321 |
| logD: | 4.6321 |
| logSw: | -4.4984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.092 |
| InChI Key: | QZTNJOBMCMWWOH-UHFFFAOYSA-N |