ethyl 6-(5-{[(4-methyl-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-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
ethyl 6-(5-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Compound characteristics
| Compound ID: | C393-0041 |
| Compound Name: | ethyl 6-(5-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C17 H22 N4 O5 S |
| Smiles: | CCOC(CCCCC(C1=C(CSC2NC(C=C(C)N=2)=O)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.613 |
| logD: | -2.4327 |
| logSw: | -2.0288 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.572 |
| InChI Key: | VYXKATGJKODPQR-UHFFFAOYSA-N |