5-[4-(3-bromoanilino)phthalazin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
5-[4-(3-bromoanilino)phthalazin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide
5-[4-(3-bromoanilino)phthalazin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide
Compound characteristics
Compound ID: | 8012-7576 |
Compound Name: | 5-[4-(3-bromoanilino)phthalazin-1-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylbenzene-1-sulfonamide |
Molecular Weight: | 661.62 |
Molecular Formula: | C33 H33 Br N4 O4 S |
Smiles: | CCOc1ccc(CCNS(c2cc(ccc2C)c2c3ccccc3c(Nc3cccc(c3)[Br])nn2)(=O)=O)cc1OCC |
Stereo: | ACHIRAL |
logP: | 7.035 |
logD: | 7.0345 |
logSw: | -6.048 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.781 |
InChI Key: | YYWPVSPCUBIRFN-UHFFFAOYSA-N |