N-[2-(azepan-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
N-[2-(azepan-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
Compound characteristics
| Compound ID: | P124-1493 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | CC1c2c(C(N(CC(NCCN3CCCCCC3)=O)N=1)=O)nc(c1ccccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.041 |
| logD: | 1.5554 |
| logSw: | -3.0937 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.862 |
| InChI Key: | MJAHFXVZLPBEMF-UHFFFAOYSA-N |