6-({2-[4-(butan-2-yl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
Chemical Structure Depiction of
6-({2-[4-(butan-2-yl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
6-({2-[4-(butan-2-yl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | D112-0163 |
| Compound Name: | 6-({2-[4-(butan-2-yl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CCC(C)c1ccc(cc1)NC(CSc1ccc(cn1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.412 |
| logD: | 1.5371 |
| logSw: | -3.9767 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.023 |
| InChI Key: | PHJBIYUPQJHCGN-LBPRGKRZSA-N |