5-[(4-chloro-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(4-chloro-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
5-[(4-chloro-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2027-0218 |
| Compound Name: | 5-[(4-chloro-3-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C16 H8 Cl N3 O5 S2 |
| Smiles: | C(=C1/C(N(C(=S)S1)c1ccc(cc1)[N+]([O-])=O)=O)\c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0757 |
| logD: | 4.0757 |
| logSw: | -4.599 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 82.293 |
| InChI Key: | PUNYPWQPOBOBQS-UHFFFAOYSA-N |