2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
Chemical Structure Depiction of
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
Compound characteristics
| Compound ID: | J102-0311 |
| Compound Name: | 2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]acetamide |
| Molecular Weight: | 330.39 |
| Molecular Formula: | C16 H22 N6 O2 |
| Smiles: | CC(C)c1nc(NC(CN2C(C=C3CCCCCC3=N2)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.9817 |
| logD: | 1.9738 |
| logSw: | -2.5305 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.904 |
| InChI Key: | SWBBSBMISPAHPN-UHFFFAOYSA-N |