3-butyl-6-hydroxy-5-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione
3-butyl-6-hydroxy-5-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-0135 |
| Compound Name: | 3-butyl-6-hydroxy-5-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C17 H19 N5 O5 |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2cccc(c2)[N+]([O-])=O)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0866 |
| logD: | -3.1753 |
| logSw: | -2.8817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.603 |
| InChI Key: | YHFXSOUEQOTMTA-LBPRGKRZSA-N |