5-[5-(4-bromophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[5-(4-bromophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[5-(4-bromophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1695 |
| Compound Name: | 5-[5-(4-bromophenyl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 437.31 |
| Molecular Formula: | C17 H17 Br N4 O3 S |
| Smiles: | CCC(N1C(CC(C2=C(NC(N(C)C2=O)=S)O)=N1)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3658 |
| logD: | -1.6169 |
| logSw: | -2.8323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.146 |
| InChI Key: | OIQCLPTXQUBZMU-LBPRGKRZSA-N |