sodium--4-benzyl-1-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-5-olate (1/1)
Chemical Structure Depiction of
sodium--4-benzyl-1-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-5-olate (1/1)
sodium--4-benzyl-1-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-5-olate (1/1)
Compound characteristics
| Compound ID: | D475-2008 |
| Compound Name: | sodium--4-benzyl-1-[5-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-methyl-1H-pyrazol-5-olate (1/1) |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C25 H23 N4 O2 S |
| Salt: | Na+ |
| Smiles: | Cc1c(C(N2CCc3ccccc3C2)=O)sc(n1)n1c(c(Cc2ccccc2)c(C)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.478 |
| logD: | 4.074 |
| logSw: | -4.266 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.52 |
| InChI Key: | KTTJGWVIHDCYJL-UHFFFAOYSA-M |