N-(4-bromo-3-methylphenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(4-bromo-3-methylphenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | L693-0144 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 485.38 |
| Molecular Formula: | C22 H25 Br N6 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(NCCn1c2ccc(cc2nn1)C(N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3339 |
| logD: | 3.3339 |
| logSw: | -3.3865 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.029 |
| InChI Key: | BRMJIHIYIKTURG-UHFFFAOYSA-N |