2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]pyridine-3-carboxamide
2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3250 |
| Compound Name: | 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]pyridine-3-carboxamide |
| Molecular Weight: | 375.53 |
| Molecular Formula: | C20 H29 N3 O2 S |
| Smiles: | CCCCNC(CSc1c(cccn1)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1037 |
| logD: | 3.1037 |
| logSw: | -3.5316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.178 |
| InChI Key: | OKSIRAZGPUVRRL-UHFFFAOYSA-N |