ethyl N-{5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate
Chemical Structure Depiction of
ethyl N-{5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate
ethyl N-{5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate
Compound characteristics
| Compound ID: | 4109-2041 |
| Compound Name: | ethyl N-{5-[4-(4-bromoanilino)phthalazin-1-yl]-2-methylbenzene-1-sulfonyl}glycinate |
| Molecular Weight: | 555.45 |
| Molecular Formula: | C25 H23 Br N4 O4 S |
| Smiles: | CCOC(CNS(c1cc(ccc1C)c1c2ccccc2c(Nc2ccc(cc2)[Br])nn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5075 |
| logD: | 5.5054 |
| logSw: | -5.6048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.95 |
| InChI Key: | FHIUMPWGKSYVGG-UHFFFAOYSA-N |