3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3679-2157 |
| Compound Name: | 3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C18 H14 N2 O5 S |
| Smiles: | CN1C(C(=Cc2ccc(c3cccc(c3)C(O)=O)o2)C(N(C)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1411 |
| logD: | -1.3716 |
| logSw: | -2.4655 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.796 |
| InChI Key: | QWDHQBDDVPVNCH-UHFFFAOYSA-N |