N-butyl-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
Chemical Structure Depiction of
N-butyl-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
N-butyl-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3607 |
| Compound Name: | N-butyl-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide |
| Molecular Weight: | 385.53 |
| Molecular Formula: | C21 H27 N3 O2 S |
| Smiles: | CCCCNC(c1cccnc1SCC(Nc1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6154 |
| logD: | 4.6154 |
| logSw: | -4.3584 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.822 |
| InChI Key: | XUCFZSGWMZQKKQ-UHFFFAOYSA-N |