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 |