1-tert-butyl-5-[4-(3-methoxybenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-tert-butyl-5-[4-(3-methoxybenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
1-tert-butyl-5-[4-(3-methoxybenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1700 |
| Compound Name: | 1-tert-butyl-5-[4-(3-methoxybenzamido)-2-(4-methylpiperazine-1-sulfonyl)phenoxy]-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C28 H35 N5 O7 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c1Oc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)NC(c1cccc(c1)OC)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.9106 |
| logD: | 0.1977 |
| logSw: | -3.5705 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.398 |
| InChI Key: | ZONDVJCMEAGXQV-UHFFFAOYSA-N |