1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid
1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-1993 |
| Compound Name: | 1-benzyl-3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1H-indole-2-carboxylic acid |
| Molecular Weight: | 436.62 |
| Molecular Formula: | C26 H32 N2 O2 S |
| Smiles: | C1CCC(CC1)SCCCNCc1c2ccccc2n(Cc2ccccc2)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0498 |
| logD: | 5.0498 |
| logSw: | -4.5939 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.676 |
| InChI Key: | KIXIQYKBZLECIM-UHFFFAOYSA-N |