3-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-cyanophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-cyanophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-cyanophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0521 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-cyanophenyl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CN1C(N(CC(N2CCCCCC2)=O)C(c2cc(ccc12)S(Nc1ccc(C#N)cc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1114 |
| logD: | 1.7982 |
| logSw: | -3.2082 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.733 |
| InChI Key: | RJDZJANYAAFCEJ-UHFFFAOYSA-N |