N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-(3-methylbutyl)benzamide
N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-(3-methylbutyl)benzamide
Compound characteristics
Compound ID: | V002-9327 |
Compound Name: | N-{2-[({1-[(4-bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)(butyl)amino]-2-oxoethyl}-2,4-dimethoxy-N-(3-methylbutyl)benzamide |
Molecular Weight: | 612.61 |
Molecular Formula: | C32 H42 Br N3 O4 |
Smiles: | CCCCN(Cc1cccn1Cc1ccc(cc1)[Br])C(CN(CCC(C)C)C(c1ccc(cc1OC)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.7575 |
logD: | 6.7575 |
logSw: | -5.6715 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.606 |
InChI Key: | FKXFPIFZWJCUGH-UHFFFAOYSA-N |