4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-5-nitrobenzoate
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-5-nitrobenzoate
4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-5-nitrobenzoate
Compound characteristics
| Compound ID: | 3229-1530 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-methyl-5-nitrobenzoate |
| Molecular Weight: | 400.43 |
| Molecular Formula: | C18 H12 N2 O5 S2 |
| Smiles: | Cc1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccc(\C=C2/C(NC(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8336 |
| logD: | 1.4824 |
| logSw: | -3.5274 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.659 |
| InChI Key: | PEXDPSAYRKEFES-UHFFFAOYSA-N |