5-[4-(3-bromoanilino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
5-[4-(3-bromoanilino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzene-1-sulfonamide
5-[4-(3-bromoanilino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4109-1975 |
| Compound Name: | 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-tert-butyl-2-methylbenzene-1-sulfonamide |
| Molecular Weight: | 525.47 |
| Molecular Formula: | C25 H25 Br N4 O2 S |
| Smiles: | Cc1ccc(cc1S(NC(C)(C)C)(=O)=O)c1c2ccccc2c(Nc2cccc(c2)[Br])nn1 |
| Stereo: | ACHIRAL |
| logP: | 6.1796 |
| logD: | 6.1785 |
| logSw: | -5.9183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.828 |
| InChI Key: | KCWQULIQADRCIR-UHFFFAOYSA-N |