sodium--2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(2-phenylethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1)
Chemical Structure Depiction of
sodium--2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(2-phenylethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1)
sodium--2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(2-phenylethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1)
Compound characteristics
| Compound ID: | 8015-5248 |
| Compound Name: | sodium--2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(2-phenylethyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1) |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C22 H17 N4 O2 S |
| Salt: | Na+ |
| Smiles: | CC1=C2C(C=C(N1CCc1ccccc1)[O-])=NN(C2=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1967 |
| logD: | 4.0788 |
| logSw: | -4.2108 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.001 |
| InChI Key: | TZWCLNWUOCCOLN-UHFFFAOYSA-M |