N-(3,4-difluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
N-(3,4-difluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | L695-0167 |
| Compound Name: | N-(3,4-difluorophenyl)-1-methyl-2,4-dioxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 492.5 |
| Molecular Formula: | C22 H22 F2 N4 O5 S |
| Smiles: | CN1C(N(CCC(N2CCCC2)=O)C(c2cc(ccc12)S(Nc1ccc(c(c1)F)F)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3751 |
| logD: | 0.8989 |
| logSw: | -3.1243 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.69 |
| InChI Key: | DHQPXYPOBHKSIH-UHFFFAOYSA-N |