5-[(2,5-dimethoxyphenyl)(4-phenylpiperazin-1-yl)methyl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[(2,5-dimethoxyphenyl)(4-phenylpiperazin-1-yl)methyl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[(2,5-dimethoxyphenyl)(4-phenylpiperazin-1-yl)methyl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
Compound ID: | C296-0589 |
Compound Name: | 5-[(2,5-dimethoxyphenyl)(4-phenylpiperazin-1-yl)methyl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
Molecular Weight: | 454.55 |
Molecular Formula: | C23 H26 N4 O4 S |
Smiles: | COc1ccc(c(c1)C(C1=C(NC(NC1=O)=S)O)N1CCN(CC1)c1ccccc1)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.9413 |
logD: | -0.2745 |
logSw: | -3.5062 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 73.463 |
InChI Key: | HNPRHODBWPFFQO-FQEVSTJZSA-N |