ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4673-0386 |
| Compound Name: | ethyl 2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C17 H19 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1/N=C/C1C(NC(NC1=O)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1557 |
| logD: | -1.3822 |
| logSw: | -2.6808 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.824 |
| InChI Key: | LOXZZHBMPRSPGG-UHFFFAOYSA-N |