4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid
4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4237-0542 |
| Compound Name: | 4-{[(3-cyano-1-methyl-1H-indol-2-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 305.33 |
| Molecular Formula: | C18 H15 N3 O2 |
| Smiles: | Cn1c(CNc2ccc(cc2)C(O)=O)c(C#N)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.2919 |
| logD: | 0.8967 |
| logSw: | -3.3961 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.73 |
| InChI Key: | OHXJOSAFLOHFOY-UHFFFAOYSA-N |