methyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]methyl}benzoate
methyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]methyl}benzoate
Compound characteristics
| Compound ID: | V009-3553 |
| Compound Name: | methyl 4-{[({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]methyl}benzoate |
| Molecular Weight: | 422.54 |
| Molecular Formula: | C26 H31 F N2 O2 |
| Salt: | not_available |
| Smiles: | CC(C)C(C)N(Cc1ccc(cc1)C(=O)OC)Cc1cccn1Cc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9797 |
| logD: | 5.7568 |
| logSw: | -5.5477 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.4502 |
| InChI Key: | RGIYNLNTFNCNBX-FQEVSTJZSA-N |