sodium--2-(1,3-benzothiazol-2-yl)-5-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1)
Chemical Structure Depiction of
sodium--2-(1,3-benzothiazol-2-yl)-5-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1)
sodium--2-(1,3-benzothiazol-2-yl)-5-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1)
Compound characteristics
| Compound ID: | 6208-0311 |
| Compound Name: | sodium--2-(1,3-benzothiazol-2-yl)-5-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate (1/1) |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C23 H19 N4 O3 S |
| Salt: | Na+ |
| Smiles: | CC1=C2C(C=C(N1CCc1ccc(cc1)OC)[O-])=NN(C2=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.179 |
| logD: | 4.0611 |
| logSw: | -4.2197 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.544 |
| InChI Key: | LZLDVYGFNOXIJV-UHFFFAOYSA-M |