3-({[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid
3-({[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C753-1133 |
| Compound Name: | 3-({[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}methyl)-1-methyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 377.49 |
| Molecular Formula: | C23 H27 N3 O2 |
| Smiles: | Cn1c(C(O)=O)c(CNCCCN2CCc3ccccc3C2)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.4101 |
| logD: | 2.4101 |
| logSw: | -2.656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.21 |
| InChI Key: | JTEPNIMNFPCDQA-UHFFFAOYSA-N |