sodium--1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-[(4-chlorophenyl)methyl]-3-methyl-1H-pyrazol-5-olate (1/1)
Chemical Structure Depiction of
sodium--1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-[(4-chlorophenyl)methyl]-3-methyl-1H-pyrazol-5-olate (1/1)
sodium--1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-[(4-chlorophenyl)methyl]-3-methyl-1H-pyrazol-5-olate (1/1)
Compound characteristics
| Compound ID: | D475-2109 |
| Compound Name: | sodium--1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-[(4-chlorophenyl)methyl]-3-methyl-1H-pyrazol-5-olate (1/1) |
| Molecular Weight: | 466.96 |
| Molecular Formula: | C22 H24 Cl N4 O2 S |
| Salt: | Na+ |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)sc(n1)n1c(c(Cc2ccc(cc2)[Cl])c(C)n1)[O-] |
| Stereo: | ACHIRAL |
| logP: | 4.699 |
| logD: | 4.43 |
| logSw: | -4.557 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.19 |
| InChI Key: | UQRCTZHSVKLMHL-UHFFFAOYSA-M |