N~2~-hexyl-N~4~-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-hexyl-N~4~-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
N~2~-hexyl-N~4~-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
Compound ID: | K890-0071 |
Compound Name: | N~2~-hexyl-N~4~-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine |
Molecular Weight: | 385.47 |
Molecular Formula: | C19 H27 N7 O2 |
Smiles: | CCCCCCNc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N1CCCC1 |
Stereo: | ACHIRAL |
logP: | 6.3399 |
logD: | 6.3396 |
logSw: | -5.5378 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.76 |
InChI Key: | CLNDBQOFJPSMCX-UHFFFAOYSA-N |