sodium--2-(1,3-benzothiazol-2-yl)-5-[(3-methoxyphenyl)methyl]-4-methyl-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide (1/1)
Chemical Structure Depiction of
sodium--2-(1,3-benzothiazol-2-yl)-5-[(3-methoxyphenyl)methyl]-4-methyl-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide (1/1)
sodium--2-(1,3-benzothiazol-2-yl)-5-[(3-methoxyphenyl)methyl]-4-methyl-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide (1/1)
Compound characteristics
| Compound ID: | 8019-8419 |
| Compound Name: | sodium--2-(1,3-benzothiazol-2-yl)-5-[(3-methoxyphenyl)methyl]-4-methyl-3,6-dioxo-2,3,5,6-tetrahydropyrazolo[4,3-c]pyridin-1-ide (1/1) |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C22 H17 N4 O3 S |
| Salt: | Na+ |
| Smiles: | CC1=C2C(=CC(N1Cc1cccc(c1)OC)=O)[N-]N(C2=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.646 |
| logD: | 3.622 |
| logSw: | -4.086 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.34 |
| InChI Key: | NHLYACFNHGJPEE-UHFFFAOYSA-M |