3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0495 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-(4-methylpyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C23 H27 N5 O5 S |
| Smiles: | Cc1ccnc(c1)NS(c1ccc2c(c1)C(N(CC(N1CCCCCC1)=O)C(N2C)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7697 |
| logD: | 1.6477 |
| logSw: | -2.9603 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.292 |
| InChI Key: | AKYYZCFXJMNDCZ-UHFFFAOYSA-N |