1-benzyl-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-benzyl-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C799-0117 |
| Compound Name: | 1-benzyl-2,5-dimethyl-4-{[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C25 H30 N2 O3 |
| Smiles: | CC(C)Oc1ccc(CNCc2c(C(O)=O)c(C)n(Cc3ccccc3)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2792 |
| logD: | 4.2792 |
| logSw: | -4.3457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.912 |
| InChI Key: | BBJJURFXWYGNQA-UHFFFAOYSA-N |