N-(2-bromophenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(2-bromophenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(2-bromophenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
Compound ID: | L693-0027 |
Compound Name: | N-(2-bromophenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
Molecular Weight: | 457.33 |
Molecular Formula: | C20 H21 Br N6 O2 |
Smiles: | C1CCN(C1)C(c1ccc2c(c1)nnn2CCNC(Nc1ccccc1[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1357 |
logD: | 2.1357 |
logSw: | -3.0309 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.698 |
InChI Key: | PTDLLWNTRLLWGA-UHFFFAOYSA-N |