5-[4-(3-chlorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(3-chlorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[4-(3-chlorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3835 |
| Compound Name: | 5-[4-(3-chlorobenzamido)-2-(morpholine-4-sulfonyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 625.1 |
| Molecular Formula: | C30 H29 Cl N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0648 |
| logD: | 0.5488 |
| logSw: | -4.88 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.018 |
| InChI Key: | TYWBPCXLFPYMOL-UHFFFAOYSA-N |