5-{[benzyl(propan-2-yl)amino](2,5-dimethoxyphenyl)methyl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-{[benzyl(propan-2-yl)amino](2,5-dimethoxyphenyl)methyl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-{[benzyl(propan-2-yl)amino](2,5-dimethoxyphenyl)methyl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | C296-0604 |
| Compound Name: | 5-{[benzyl(propan-2-yl)amino](2,5-dimethoxyphenyl)methyl}-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | CC(C)N(Cc1ccccc1)C(C1=C(NC(NC1=O)=S)O)c1cc(ccc1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9058 |
| logD: | 3.9058 |
| logSw: | -4.1687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.509 |
| InChI Key: | KKHHRKMRHNLQAP-FQEVSTJZSA-N |