N-(2-chloro-4-fluorophenyl)-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-(2-chloro-4-fluorophenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
N-(2-chloro-4-fluorophenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L596-0182 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-1-methyl-2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 494.93 |
| Molecular Formula: | C21 H20 Cl F N4 O5 S |
| Smiles: | CN1C(N(CC(N2CCCC2)=O)C(c2cc(ccc12)S(Nc1ccc(cc1[Cl])F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3453 |
| logD: | 0.8631 |
| logSw: | -3.483 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.014 |
| InChI Key: | PYAHAYCCBMXFJA-UHFFFAOYSA-N |