5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4903-2171 |
| Compound Name: | 5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 553.48 |
| Molecular Formula: | C26 H25 Br N4 O3 S |
| Smiles: | Cc1ccc(cc1S(NCC1CCCO1)(=O)=O)c1c2ccccc2c(Nc2cccc(c2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4856 |
| logD: | 5.4851 |
| logSw: | -5.7066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.174 |
| InChI Key: | BUTGYOGXTZWBTP-OAQYLSRUSA-N |