5-bromo-2-{2-[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoic acid
Chemical Structure Depiction of
5-bromo-2-{2-[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoic acid
5-bromo-2-{2-[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoic acid
Compound characteristics
| Compound ID: | 5646-1357 |
| Compound Name: | 5-bromo-2-{2-[5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]hydrazinyl}benzoic acid |
| Molecular Weight: | 435.23 |
| Molecular Formula: | C17 H15 Br N4 O5 |
| Smiles: | CC1=C(C#N)C(N(CCCO)C(C/1=N/Nc1ccc(cc1C(O)=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.288 |
| logD: | -1.3804 |
| logSw: | -2.7683 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.772 |
| InChI Key: | FOIMPAZRZOEHDI-UHFFFAOYSA-N |