5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)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-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G721-0314 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-6-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CC(C)Cc1cnc2c(C(N(C)C(N2C)=O)=O)c1SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.587 |
| logD: | 3.5869 |
| logSw: | -3.8992 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.214 |
| InChI Key: | RWKFHDDRGJWXHT-UHFFFAOYSA-N |