N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3616 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C25 H31 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1c(cccn1)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1068 |
| logD: | 5.1068 |
| logSw: | -4.7631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.743 |
| InChI Key: | ZMBDTHIIXSODEM-UHFFFAOYSA-N |