5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-methylpiperazine-1-sulfonyl)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-methylpiperazine-1-sulfonyl)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-methylpiperazine-1-sulfonyl)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3566 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(4-methylpiperazine-1-sulfonyl)phenoxy}-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 619.65 |
| Molecular Formula: | C30 H29 N5 O8 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c2ccccc2)c1Oc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2019 |
| logD: | -1.3141 |
| logSw: | -3.5923 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.003 |
| InChI Key: | VMVPSONZZDAWJY-UHFFFAOYSA-N |