6-hydroxy-5-[5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-5-[5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-5-[5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-0521 |
| Compound Name: | 6-hydroxy-5-[5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2cccc(c2)O)NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.588 |
| logD: | -3.5913 |
| logSw: | -2.0071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.464 |
| InChI Key: | MIWKUABLTLAQHD-SECBINFHSA-N |