N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-[3-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-[3-(trifluoromethyl)phenyl]urea
N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | L447-0038 |
| Compound Name: | N-{2-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]ethyl}-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 482.48 |
| Molecular Formula: | C20 H21 F3 N6 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)C(F)(F)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1724 |
| logD: | 3.1723 |
| logSw: | -3.5116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.458 |
| InChI Key: | NAZOGCKRYVKGKY-UHFFFAOYSA-N |