cyclopentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
cyclopentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
cyclopentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D285-0183 |
| Compound Name: | cyclopentyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | C1CCC(C1)OC(CSC1NC(C(C#N)=C(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5126 |
| logD: | -1.0404 |
| logSw: | -2.7609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.565 |
| InChI Key: | TVBNWWWAUJTSBK-UHFFFAOYSA-N |