1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
Compound ID: | L693-0367 |
Compound Name: | 1-{2-[(4-bromophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide |
Molecular Weight: | 459.34 |
Molecular Formula: | C20 H23 Br N6 O2 |
Smiles: | CCN(CC)C(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6439 |
logD: | 2.6438 |
logSw: | -3.1234 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.313 |
InChI Key: | ZOLNNLQIEAFBIC-UHFFFAOYSA-N |