methyl 2-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]methyl}benzoate
methyl 2-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]methyl}benzoate
Compound characteristics
| Compound ID: | V010-9930 |
| Compound Name: | methyl 2-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutyl)amino]methyl}benzoate |
| Molecular Weight: | 422.54 |
| Molecular Formula: | C26 H31 F N2 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN(Cc1ccccc1C(=O)OC)Cc1cccn1Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.795 |
| logD: | 5.0699 |
| logSw: | -5.5638 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.1727 |
| InChI Key: | WFNJUEPLGOBASU-UHFFFAOYSA-N |