4-[(6-amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)diazenyl]benzoic acid
Chemical Structure Depiction of
4-[(6-amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)diazenyl]benzoic acid
4-[(6-amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)diazenyl]benzoic acid
Compound characteristics
| Compound ID: | 4331-0976 |
| Compound Name: | 4-[(6-amino-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)diazenyl]benzoic acid |
| Molecular Weight: | 291.29 |
| Molecular Formula: | C11 H9 N5 O3 S |
| Smiles: | c1cc(ccc1C(O)=O)/N=N/C1=C(N)NC(NC1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.6938 |
| logD: | -1.6963 |
| logSw: | -2.3029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 107.723 |
| InChI Key: | PPBDDZSHDKYAQM-UHFFFAOYSA-N |