1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N,N-dimethyl-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0212 |
| Compound Name: | 1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-N,N-dimethyl-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C18 H21 F N6 O3 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCNC(NCc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9778 |
| logD: | 0.9778 |
| logSw: | -2.5135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.367 |
| InChI Key: | VQHCOPCHVOXDRP-UHFFFAOYSA-N |