4-[(8-nitro-4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(8-nitro-4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoic acid
4-[(8-nitro-4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | K263-0335 |
| Compound Name: | 4-[(8-nitro-4-oxo-2-sulfanylidene-1,4-dihydro[1]benzothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]benzoic acid |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C18 H11 N3 O5 S2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)N1C(c2c(c3cc(ccc3s2)[N+]([O-])=O)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8144 |
| logD: | 0.8429 |
| logSw: | -4.0999 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.602 |
| InChI Key: | CMCFSXWJRNMJJR-UHFFFAOYSA-N |