N-(4-cyanophenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
N-(4-cyanophenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0128 |
| Compound Name: | N-(4-cyanophenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C22 H21 N5 O5 S |
| Smiles: | CN1C(N(CC(N2CCCC2)=O)C(c2cc(ccc12)S(Nc1ccc(C#N)cc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3965 |
| logD: | 1.0833 |
| logSw: | -2.6252 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.768 |
| InChI Key: | KRGJUDMCJPPXHX-UHFFFAOYSA-N |