ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate
Chemical Structure Depiction of
ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate
ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate
Compound characteristics
| Compound ID: | 4715-0010 |
| Compound Name: | ethyl 6-[5-({[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]-6-oxohexanoate |
| Molecular Weight: | 511.56 |
| Molecular Formula: | C24 H25 N5 O6 S |
| Smiles: | CCOC(CCCCC(C1=C(CSC2NC(C(C#N)=C(c3cccc(c3)OC)N=2)=O)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.071 |
| logD: | -1.7943 |
| logSw: | -2.84 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.254 |
| InChI Key: | ARJBEMTUBHHCOY-UHFFFAOYSA-N |