3,6-dimethyl-1-[4-(4-nitrophenoxy)butyl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3,6-dimethyl-1-[4-(4-nitrophenoxy)butyl]pyrimidine-2,4(1H,3H)-dione
3,6-dimethyl-1-[4-(4-nitrophenoxy)butyl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 2444-0288 |
| Compound Name: | 3,6-dimethyl-1-[4-(4-nitrophenoxy)butyl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C16 H19 N3 O5 |
| Smiles: | CC1=CC(N(C)C(N1CCCCOc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4529 |
| logD: | 2.4529 |
| logSw: | -2.5025 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.445 |
| InChI Key: | BBJBPDBQICGUJP-UHFFFAOYSA-N |