1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
Compound ID: | L693-0365 |
Compound Name: | 1-{2-[(4-bromo-2-fluorophenyl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide |
Molecular Weight: | 477.33 |
Molecular Formula: | C20 H22 Br F N6 O2 |
Smiles: | CCN(CC)C(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1F)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4914 |
logD: | 2.4902 |
logSw: | -3.0807 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.615 |
InChI Key: | MEMWOKWFMBHNII-UHFFFAOYSA-N |