N-(3-chloro-4-fluorophenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
N-(3-chloro-4-fluorophenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea
Compound characteristics
| Compound ID: | G373-3486 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{2-[5-(piperidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}urea |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C21 H22 Cl F N6 O2 |
| Smiles: | C1CCN(CC1)C(c1ccc2c(c1)nnn2CCNC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8895 |
| logD: | 2.8882 |
| logSw: | -3.6381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.029 |
| InChI Key: | BEPIENAJGVFWPI-UHFFFAOYSA-N |