butyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
butyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3172-0191 |
| Compound Name: | butyl 3-{5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H18 N2 O5 S |
| Smiles: | CCCCOC(c1cccc(c1)c1ccc(C=C2C(NC(NC2=O)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5995 |
| logD: | 4.162 |
| logSw: | -4.5028 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.243 |
| InChI Key: | FVWGQLJJXXHNAU-UHFFFAOYSA-N |