{1-[(4-methylphenyl)methyl]-1H-benzotriazol-5-yl}[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{1-[(4-methylphenyl)methyl]-1H-benzotriazol-5-yl}[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
{1-[(4-methylphenyl)methyl]-1H-benzotriazol-5-yl}[4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Compound characteristics
Compound ID: | L455-0662 |
Compound Name: | {1-[(4-methylphenyl)methyl]-1H-benzotriazol-5-yl}[4-(pyrimidin-2-yl)piperazin-1-yl]methanone |
Molecular Weight: | 413.48 |
Molecular Formula: | C23 H23 N7 O |
Smiles: | Cc1ccc(Cn2c3ccc(cc3nn2)C(N2CCN(CC2)c2ncccn2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.6173 |
logD: | 2.6173 |
logSw: | -2.7268 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 63.935 |
InChI Key: | LIMZZUFSNGWOIO-UHFFFAOYSA-N |