ethyl 4-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate
ethyl 4-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate
Compound characteristics
| Compound ID: | 4554-3250 |
| Compound Name: | ethyl 4-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H20 N2 O5 S |
| Smiles: | CCN1C(C(=C2C=C(C(=O)OCC)Oc3ccccc23)C(N(CC)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5858 |
| logD: | 2.5858 |
| logSw: | -3.2196 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 61.06 |
| InChI Key: | KDGNLQHPMZFOJJ-UHFFFAOYSA-N |