N-(3-bromophenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-bromophenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3-bromophenyl)-N'-{2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L693-0030 |
| Compound Name: | N-(3-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(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6801 |
| logD: | 2.6801 |
| logSw: | -3.0857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.395 |
| InChI Key: | BGBHGYVVWLNCTD-UHFFFAOYSA-N |