3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0451 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C23 H25 F N4 O5 S |
| Smiles: | CN1C(N(CC(N2CCCCCC2)=O)C(c2cc(ccc12)S(Nc1cccc(c1)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5773 |
| logD: | 2.4124 |
| logSw: | -3.2048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.677 |
| InChI Key: | AOEBTGDKQBSFDV-UHFFFAOYSA-N |