1-[(2-chlorophenyl)methyl]-3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
1-[(2-chlorophenyl)methyl]-3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
Compound ID: | C753-2052 |
Compound Name: | 1-[(2-chlorophenyl)methyl]-3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1H-indole-2-carboxylic acid |
Molecular Weight: | 422.95 |
Molecular Formula: | C25 H27 Cl N2 O2 |
Smiles: | C1CCC(CCNCc2c3ccccc3n(Cc3ccccc3[Cl])c2C(O)=O)=CC1 |
Stereo: | ACHIRAL |
logP: | 5.0151 |
logD: | 5.0151 |
logSw: | -4.6118 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 40.676 |
InChI Key: | BXQQEPLCWNOHDS-UHFFFAOYSA-N |