5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0914 |
| Compound Name: | 5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.05 |
| Molecular Formula: | C20 H24 Cl N5 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCCN(C)c2c(cc(cn2)NS(c2ccc(s2)[Cl])(=O)=O)C(O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0067 |
| logD: | 1.3991 |
| logSw: | -3.4651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.157 |
| InChI Key: | HLWTXIRWXPNPSY-UHFFFAOYSA-N |