4-{[3-(5-bromo-1H-indol-1-yl)propanamido]methyl}benzoic acid
Chemical Structure Depiction of
4-{[3-(5-bromo-1H-indol-1-yl)propanamido]methyl}benzoic acid
4-{[3-(5-bromo-1H-indol-1-yl)propanamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y043-0272 |
| Compound Name: | 4-{[3-(5-bromo-1H-indol-1-yl)propanamido]methyl}benzoic acid |
| Molecular Weight: | 401.26 |
| Molecular Formula: | C19 H17 Br N2 O3 |
| Smiles: | C(Cn1ccc2cc(ccc12)[Br])C(NCc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.002 |
| logD: | 1.0305 |
| logSw: | -4.0413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.936 |
| InChI Key: | SPVQVXSDDDPOSY-UHFFFAOYSA-N |