methyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4489-7527 |
| Compound Name: | methyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 356.35 |
| Molecular Formula: | C17 H12 N2 O5 S |
| Smiles: | COC(c1cccc(c1)c1ccc(C=C2C(NC(NC2=O)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1042 |
| logD: | 2.6666 |
| logSw: | -3.5082 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.369 |
| InChI Key: | VDULKWBJAXTWAA-UHFFFAOYSA-N |