5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-1731 |
| Compound Name: | 5-[5-(2H-1,3-benzodioxol-5-yl)-1-propanoyl-4,5-dihydro-1H-pyrazol-3-yl]-3-butyl-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc3c(c2)OCO3)N(C(CC)=O)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0018 |
| logD: | -0.9809 |
| logSw: | -3.2185 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.474 |
| InChI Key: | RSEKFEBVQRHIJH-CQSZACIVSA-N |