rel-(4aR,8aR)-1,4,6-trimethyl-5-(4-nitrophenyl)hexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
Chemical Structure Depiction of
rel-(4aR,8aR)-1,4,6-trimethyl-5-(4-nitrophenyl)hexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
rel-(4aR,8aR)-1,4,6-trimethyl-5-(4-nitrophenyl)hexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
Compound characteristics
| Compound ID: | 8011-1945 |
| Compound Name: | rel-(4aR,8aR)-1,4,6-trimethyl-5-(4-nitrophenyl)hexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C15 H19 N5 O4 |
| Smiles: | [H][C@@]12C(C)NC(N(C)[C@@]2([H])NC(N(C)C1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1611 |
| logD: | 1.1611 |
| logSw: | -2.2369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.892 |
| InChI Key: | ZCWQWKGQGKOVJR-YFNMYLJCSA-N |