tetra-tert-butyl 2,2'-{6-[(2-aminoethyl)amino]-1,3,5-triazine-2,4-diyl}bis(nitropropanedioate)
Chemical Structure Depiction of
tetra-tert-butyl 2,2'-{6-[(2-aminoethyl)amino]-1,3,5-triazine-2,4-diyl}bis(nitropropanedioate)
tetra-tert-butyl 2,2'-{6-[(2-aminoethyl)amino]-1,3,5-triazine-2,4-diyl}bis(nitropropanedioate)
Compound characteristics
Compound ID: | 8009-2778 |
Compound Name: | tetra-tert-butyl 2,2'-{6-[(2-aminoethyl)amino]-1,3,5-triazine-2,4-diyl}bis(nitropropanedioate) |
Molecular Weight: | 657.68 |
Molecular Formula: | C27 H43 N7 O12 |
Smiles: | CC(C)(C)OC(C(C(=O)OC(C)(C)C)(c1nc(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+]([O-])=O)nc(NCCN)n1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5132 |
logD: | 2.4018 |
logSw: | -4.3894 |
Hydrogen bond acceptors count: | 24 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 208.07 |
InChI Key: | QLHASVLNRZOIIC-UHFFFAOYSA-N |