5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4489-8165 |
| Compound Name: | 5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 478.32 |
| Molecular Formula: | C19 H16 Br N3 O5 S |
| Smiles: | CCN1C(C(=Cc2ccc(c3ccc(cc3[Br])[N+]([O-])=O)o2)C(N(CC)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1082 |
| logD: | 4.1082 |
| logSw: | -4.3379 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.688 |
| InChI Key: | QKXTVDNNBDKJHB-UHFFFAOYSA-N |