5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(methoxymethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(methoxymethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(methoxymethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G721-0462 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-6-(methoxymethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C19 H26 N4 O4 S |
| Smiles: | CN1C(c2c(c(COC)cnc2N(C)C1=O)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8739 |
| logD: | 1.8739 |
| logSw: | -2.1094 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.638 |
| InChI Key: | DXDLOVKHHZSTOT-UHFFFAOYSA-N |