4-[(2-bromo-4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-bromo-4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2-bromo-4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2817-0085 |
| Compound Name: | 4-[(2-bromo-4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 577.43 |
| Molecular Formula: | C29 H25 Br N2 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)N1C(C(=C\c2ccc(c(c2)[Br])OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9489 |
| logD: | 2.9774 |
| logSw: | -5.4702 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.113 |
| InChI Key: | ZOYYPKWPZDKDBT-UHFFFAOYSA-N |