1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide
1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0238 |
| Compound Name: | 1-{2-[(2,5-dimethylphenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C21 H28 N6 O3 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCNC(Nc1cc(C)ccc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3287 |
| logD: | 2.3287 |
| logSw: | -2.9197 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.78 |
| InChI Key: | UKLVNFMONKXWKX-UHFFFAOYSA-N |