4-({2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2817-0080 |
| Compound Name: | 4-({2-bromo-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 461.29 |
| Molecular Formula: | C19 H13 Br N2 O5 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Oc1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7436 |
| logD: | 0.7721 |
| logSw: | -4.1709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.348 |
| InChI Key: | QTWYKXQJIRORSB-UHFFFAOYSA-N |