5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G721-0017 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-6-(propan-2-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CC(C)c1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.121 |
| logD: | 3.1201 |
| logSw: | -3.1617 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.214 |
| InChI Key: | DYLDAALOSTUWPM-UHFFFAOYSA-N |