5-[(ethanesulfonyl)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-[(ethanesulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(ethanesulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0911 |
| Compound Name: | 5-[(ethanesulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 522.54 |
| Molecular Formula: | C19 H28 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N(C)CCCc1c(C)nn(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8685 |
| logD: | -0.2472 |
| logSw: | -2.7338 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.666 |
| InChI Key: | DKUCTTFTXHDIOZ-UHFFFAOYSA-N |