5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0909 |
| Compound Name: | 5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.61 |
| Molecular Formula: | C24 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(cc2)OC)(=O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9449 |
| logD: | 0.8293 |
| logSw: | -3.6149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.311 |
| InChI Key: | AYHFPOQFELAJKR-UHFFFAOYSA-N |