1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide
1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0253 |
| Compound Name: | 1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 495.4 |
| Molecular Formula: | C19 H23 Br N6 O3 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1205 |
| logD: | 3.1205 |
| logSw: | -3.5207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.478 |
| InChI Key: | HTQXNTGUGVNTMW-UHFFFAOYSA-N |