6-[bis(2-methylpropyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-[bis(2-methylpropyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-[bis(2-methylpropyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0562 |
| Compound Name: | 6-[bis(2-methylpropyl)amino]-5-[(4-bromobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 598.43 |
| Molecular Formula: | C20 H26 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1c(cc(cn1)C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5788 |
| logD: | 2.0075 |
| logSw: | -5.1422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.955 |
| InChI Key: | BNMMDPLSVBIIKS-UHFFFAOYSA-N |