2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 3229-0174 |
| Compound Name: | 2-methoxy-4-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C21 H16 N2 O6 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CC=C)C(=S)S2)=O)ccc1OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2795 |
| logD: | 4.2795 |
| logSw: | -4.584 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 78.169 |
| InChI Key: | ZUHQKKVFOGPVBH-UHFFFAOYSA-N |