ethyl 4-(4-bromophenyl)-2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-bromophenyl)-2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}thiophene-3-carboxylate
ethyl 4-(4-bromophenyl)-2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4673-0393 |
| Compound Name: | ethyl 4-(4-bromophenyl)-2-{[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]amino}thiophene-3-carboxylate |
| Molecular Weight: | 480.36 |
| Molecular Formula: | C18 H14 Br N3 O4 S2 |
| Smiles: | CCOC(c1c(csc1/N=C/C1C(NC(NC1=O)=S)=O)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0208 |
| logD: | -0.5172 |
| logSw: | -3.426 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.301 |
| InChI Key: | FURYTCKFCGFMPU-UHFFFAOYSA-N |