N-(3-chloro-4-methoxyphenyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropteridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropteridin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropteridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E196-0228 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropteridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C20 H22 Cl N5 O3 S |
| Smiles: | CC(C)CCN1C(=Nc2c(C1=O)nccn2)SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5546 |
| logD: | 3.5544 |
| logSw: | -3.7742 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.333 |
| InChI Key: | YZBWWXBQTPBOEM-UHFFFAOYSA-N |