3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | E847-0050 |
| Compound Name: | 3-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methyl)-1-[(3-fluorophenyl)methyl]-6-methoxy-1H-indole-2-carboxylic acid |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C26 H29 F N2 O3 |
| Smiles: | COc1ccc2c(CNCCC3CCCCC=3)c(C(O)=O)n(Cc3cccc(c3)F)c2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6081 |
| logD: | 4.6081 |
| logSw: | -4.4749 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.22 |
| InChI Key: | SKSKMSVFRLHJPU-UHFFFAOYSA-N |