3-[2-(azepan-1-yl)-2-oxoethyl]-N-(butan-2-yl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(butan-2-yl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(butan-2-yl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0421 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(butan-2-yl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C21 H30 N4 O5 S |
| Smiles: | CCC(C)NS(c1ccc2c(c1)C(N(CC(N1CCCCCC1)=O)C(N2C)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0791 |
| logD: | 2.0789 |
| logSw: | -3.1078 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.712 |
| InChI Key: | WKGBGCZDJQPXFF-HNNXBMFYSA-N |