4-{4-[3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
4-{4-[3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid--N,N-diethylethanamine (1/1)
4-{4-[3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | 8010-2190 |
| Compound Name: | 4-{4-[3-ethyl-5-(5-methoxy-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 623.79 |
| Molecular Formula: | C25 H22 N4 O5 S2 |
| Salt: | (C2H5)3N |
| Smiles: | CCN1/C(=C2/C(C)=NN(C2=O)c2ccc(cc2)C(O)=O)SC(=C2/N(C)c3cc(ccc3S2)OC)/C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.6546 |
| logD: | 2.2594 |
| logSw: | -4.3131 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.63 |
| InChI Key: | HOOQVAKHGZXUSM-CBAIGBLSSA-N |