2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(pentylsulfanyl)-1,2,4-thiadiazol-5-yl]acetamide
Chemical Structure Depiction of
2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(pentylsulfanyl)-1,2,4-thiadiazol-5-yl]acetamide
2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(pentylsulfanyl)-1,2,4-thiadiazol-5-yl]acetamide
Compound characteristics
| Compound ID: | N099-0001 |
| Compound Name: | 2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(pentylsulfanyl)-1,2,4-thiadiazol-5-yl]acetamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C20 H27 N5 O2 S2 |
| Smiles: | CCCCCSc1nc(NC(CN2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)sn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8802 |
| logD: | 4.8558 |
| logSw: | -4.4749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.4 |
| InChI Key: | GKHWDZNLPHOQHB-UHFFFAOYSA-N |