2-[(2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-[(2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-methyl-N-phenylacetamide
2-[(2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | G786-1778 |
| Compound Name: | 2-[(2-butyl-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]-N-methyl-N-phenylacetamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CCCCc1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(N(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3068 |
| logD: | 3.3068 |
| logSw: | -3.7138 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.159 |
| InChI Key: | RUOZJHJUWGLDBG-UHFFFAOYSA-N |