3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0736 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-N-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | Cc1cccc(CNS(c2ccc3c(c2)C(N(CC(N2CCCCCC2)=O)C(N3C)=O)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0735 |
| logD: | 3.0726 |
| logSw: | -3.5716 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.786 |
| InChI Key: | YTFVCNNOGOAWFQ-UHFFFAOYSA-N |