3-{[(butan-2-yl)amino]methyl}-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-{[(butan-2-yl)amino]methyl}-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
3-{[(butan-2-yl)amino]methyl}-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2621 |
| Compound Name: | 3-{[(butan-2-yl)amino]methyl}-1-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C21 H22 Cl F N2 O2 |
| Smiles: | CCC(C)NCc1c2ccccc2n(Cc2ccc(cc2[Cl])F)c1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6759 |
| logD: | 4.6759 |
| logSw: | -4.5067 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.146 |
| InChI Key: | ZGSOALVZSSKYBV-ZDUSSCGKSA-N |