N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3353 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | COc1ccccc1NC(CSc1c(cccn1)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5218 |
| logD: | 3.5217 |
| logSw: | -3.8019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.675 |
| InChI Key: | LWCYHSFXUKGCMG-UHFFFAOYSA-N |