3-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 0927-0084 |
| Compound Name: | 3-{5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C28 H18 N2 O5 S |
| Smiles: | C(=C1C(N(C(N(C1=O)c1ccccc1)=S)c1ccccc1)=O)c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6858 |
| logD: | 1.1731 |
| logSw: | -4.5875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.498 |
| InChI Key: | IELCYJMWJPCCRA-UHFFFAOYSA-N |