N,N-diethyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
N,N-diethyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0271 |
| Compound Name: | N,N-diethyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C20 H25 F N6 O3 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCNC(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5643 |
| logD: | 1.5643 |
| logSw: | -2.5786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.8 |
| InChI Key: | MULLDRFGVYKWOW-UHFFFAOYSA-N |