{[6-amino-1-(4-methoxyphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[6-amino-1-(4-methoxyphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetonitrile
{[6-amino-1-(4-methoxyphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 8017-7639 |
| Compound Name: | {[6-amino-1-(4-methoxyphenyl)-4-oxo-1,4-dihydropyrimidin-2-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 288.33 |
| Molecular Formula: | C13 H12 N4 O2 S |
| Smiles: | COc1ccc(cc1)N1C(=CC(N=C1SCC#N)=O)N |
| Stereo: | ACHIRAL |
| logP: | 0.5668 |
| logD: | 0.5668 |
| logSw: | -1.8183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.509 |
| InChI Key: | ITUZVNHYVMULJC-UHFFFAOYSA-N |