(4-{[4-amino-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]methyl}piperazin-1-yl)(furan-2-yl)methanone
Chemical Structure Depiction of
(4-{[4-amino-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]methyl}piperazin-1-yl)(furan-2-yl)methanone
(4-{[4-amino-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]methyl}piperazin-1-yl)(furan-2-yl)methanone
Compound characteristics
Compound ID: | Y020-0799 |
Compound Name: | (4-{[4-amino-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]methyl}piperazin-1-yl)(furan-2-yl)methanone |
Molecular Weight: | 427.89 |
Molecular Formula: | C20 H22 Cl N7 O2 |
Smiles: | Cc1ccc(cc1[Cl])Nc1nc(CN2CCN(CC2)C(c2ccco2)=O)nc(N)n1 |
Stereo: | ACHIRAL |
logP: | 3.1645 |
logD: | 3.156 |
logSw: | -3.3448 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 90.375 |
InChI Key: | OCYBHIUJWNPFOQ-UHFFFAOYSA-N |