N-[3-(heptylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(heptylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetamide
N-[3-(heptylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | N099-0010 |
| Compound Name: | N-[3-(heptylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)acetamide |
| Molecular Weight: | 461.65 |
| Molecular Formula: | C22 H31 N5 O2 S2 |
| Smiles: | CCCCCCCSc1nc(NC(CN2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)sn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8721 |
| logD: | 5.8476 |
| logSw: | -5.143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.4 |
| InChI Key: | IMUDZFUVAKOPGL-UHFFFAOYSA-N |