6-{2-[4-(heptyloxy)phenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{2-[4-(heptyloxy)phenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
6-{2-[4-(heptyloxy)phenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 4071-0050 |
| Compound Name: | 6-{2-[4-(heptyloxy)phenyl]ethenyl}-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C21 H27 N3 O5 |
| Smiles: | CCCCCCCOc1ccc(/C=C/C2=C(C(N(C)C(N2C)=O)=O)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4436 |
| logD: | 5.4436 |
| logSw: | -5.2283 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.649 |
| InChI Key: | MXRODFZEQZGCQA-UHFFFAOYSA-N |