ethyl 4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
ethyl 4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4058-0080 |
| Compound Name: | ethyl 4-(5-{[1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H20 N2 O6 S |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.59 |
| logD: | 4.2039 |
| logSw: | -4.3165 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.096 |
| InChI Key: | KUXNQOYZRJQQIY-UHFFFAOYSA-N |