tetra-tert-butyl 2,2'-[6-(1,3-di-tert-butoxy-1,3-dioxopropan-2-yl)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Chemical Structure Depiction of
tetra-tert-butyl 2,2'-[6-(1,3-di-tert-butoxy-1,3-dioxopropan-2-yl)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
tetra-tert-butyl 2,2'-[6-(1,3-di-tert-butoxy-1,3-dioxopropan-2-yl)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Compound characteristics
| Compound ID: | 8009-2780 |
| Compound Name: | tetra-tert-butyl 2,2'-[6-(1,3-di-tert-butoxy-1,3-dioxopropan-2-yl)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate) |
| Molecular Weight: | 813.86 |
| Molecular Formula: | C36 H55 N5 O16 |
| Smiles: | [H]C(C(=O)OC(C)(C)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(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.9376 |
| logD: | 7.9376 |
| logSw: | -5.7394 |
| Hydrogen bond acceptors count: | 29 |
| Polar surface area: | 215.159 |
| InChI Key: | YNMFBRCADCCVMY-UHFFFAOYSA-N |