4-bromo-N-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
4-bromo-N-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
Compound characteristics
| Compound ID: | 2109-0446 |
| Compound Name: | 4-bromo-N-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide |
| Molecular Weight: | 530.37 |
| Molecular Formula: | C21 H12 Br N3 O5 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)NC(c1ccc(cc1)[Br])=O)=O)/c1ccc(c2ccc(cc2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2494 |
| logD: | 5.0598 |
| logSw: | -5.541 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.795 |
| InChI Key: | NKKZBQPQMQOWKC-UHFFFAOYSA-N |