methyl 2-{[(3-methylbutyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[(3-methylbutyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate
methyl 2-{[(3-methylbutyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate
Compound characteristics
| Compound ID: | V027-0611 |
| Compound Name: | methyl 2-{[(3-methylbutyl)({1-[(2-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]methyl}benzoate |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C27 H34 N2 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN(Cc1ccccc1C(=O)OC)Cc1cccn1Cc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.5491 |
| logD: | 5.824 |
| logSw: | -5.7353 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.1727 |
| InChI Key: | QXWZRNFXZSQPJW-UHFFFAOYSA-N |