5-[(benzenesulfonyl)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-[(benzenesulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(benzenesulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0910 |
| Compound Name: | 5-[(benzenesulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 570.59 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCCN(C)c2ccc(cc2C(O)=O)NS(c2ccccc2)(=O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7775 |
| logD: | 0.6618 |
| logSw: | -3.5527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.768 |
| InChI Key: | BMCJLORBFIMUJP-UHFFFAOYSA-N |