1-{2-[(3-bromophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(3-bromophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide
1-{2-[(3-bromophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide
Compound characteristics
Compound ID: | L693-0528 |
Compound Name: | 1-{2-[(3-bromophenyl)carbamamido]ethyl}-N-cyclopentyl-1H-benzotriazole-5-carboxamide |
Molecular Weight: | 471.36 |
Molecular Formula: | C21 H23 Br N6 O2 |
Smiles: | C1CCC(C1)NC(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5136 |
logD: | 3.5136 |
logSw: | -3.718 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 83.886 |
InChI Key: | BHHAPCWWZRSGKX-UHFFFAOYSA-N |