5-iodo-1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-iodo-1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
5-iodo-1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8016-3305 |
| Compound Name: | 5-iodo-1-[(4-methoxy-3-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 403.13 |
| Molecular Formula: | C12 H10 I N3 O5 |
| Smiles: | COc1ccc(CN2C=C(C(NC2=O)=O)I)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0736 |
| logD: | 1.0575 |
| logSw: | -2.4149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.06 |
| InChI Key: | KCYXRASKZALTQU-UHFFFAOYSA-N |