3-[2-(azepan-1-yl)-2-oxoethyl]-N,1-dimethyl-N-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-N,1-dimethyl-N-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-N,1-dimethyl-N-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0583 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-N,1-dimethyl-N-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | Cc1cccc(c1)N(C)S(c1ccc2c(c1)C(N(CC(N1CCCCCC1)=O)C(N2C)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.274 |
| logD: | 3.274 |
| logSw: | -3.6751 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.849 |
| InChI Key: | IONMKXNKENRTHY-UHFFFAOYSA-N |