3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-2801 |
| Compound Name: | 3-({[3-(cyclohexylsulfanyl)propyl]amino}methyl)-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 462.65 |
| Molecular Formula: | C28 H34 N2 O2 S |
| Smiles: | C=Cc1ccc(Cn2c(C(O)=O)c(CNCCCSC3CCCCC3)c3ccccc23)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6442 |
| logD: | 5.6442 |
| logSw: | -5.732 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.676 |
| InChI Key: | ATVNCNABYFGBMH-UHFFFAOYSA-N |