N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide
Compound characteristics
| Compound ID: | F616-0742 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-{3-[(4-methylphenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC(N(c2ccc(cc2)C(NCCC2CCCCC=2)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0159 |
| logD: | 5.0159 |
| logSw: | -4.4832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.995 |
| InChI Key: | HUDBBHGJNGNVAU-UHFFFAOYSA-N |