2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid
2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | F293-0926 |
| Compound Name: | 2-{methyl[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid |
| Molecular Weight: | 613.66 |
| Molecular Formula: | C25 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1cc(C(O)=O)c(nc1)N(C)CCCc1c(C)nn(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8064 |
| logD: | 2.1988 |
| logSw: | -3.8583 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.139 |
| InChI Key: | IZDOOCRCXJBXKU-UHFFFAOYSA-N |