2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-nitrobenzoate
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 3229-1625 |
| Compound Name: | 2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-nitrobenzoate |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C18 H12 N2 O6 S2 |
| Smiles: | COc1cc(\C=C2/C(NC(=S)S2)=O)ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6535 |
| logD: | 1.3024 |
| logSw: | -3.3141 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.377 |
| InChI Key: | AHVXJVBZXZTIJP-UHFFFAOYSA-N |