2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0192 |
| Compound Name: | 2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C16 H21 N5 O2 S |
| Smiles: | CCCc1nnc(NC(CN2C(C=C3CCCCCC3=N2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7589 |
| logD: | 2.7336 |
| logSw: | -3.0119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.754 |
| InChI Key: | MIPCEVAGWQKUFV-UHFFFAOYSA-N |