2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | G749-0221 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1-ethyl-5,7-dimethylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 374.5 |
| Molecular Formula: | C19 H26 N4 O2 S |
| Smiles: | CCN1C(=NC(c2c(C)cc(C)nc12)=O)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1391 |
| logD: | 3.1178 |
| logSw: | -3.0326 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.934 |
| InChI Key: | KVABOUABHYEEDI-UHFFFAOYSA-N |