3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 3684-0252 |
| Compound Name: | 3-{5-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}-4-methylbenzoic acid |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C19 H16 N2 O5 S |
| Smiles: | Cc1ccc(cc1c1ccc(C=C2C(N(C)C(N(C)C2=O)=S)=O)o1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7095 |
| logD: | -0.3845 |
| logSw: | -2.9812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.796 |
| InChI Key: | FHAZBARARCIXMB-UHFFFAOYSA-N |