5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
Chemical Structure Depiction of
5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
Compound characteristics
| Compound ID: | P124-1455 |
| Compound Name: | 5-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CC1c2c(C(N(CC(N3CCCCCC3)=O)N=1)=O)nc(c1ccccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3924 |
| logD: | 3.3924 |
| logSw: | -3.5561 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.959 |
| InChI Key: | QGBPXZZCTMOTNR-UHFFFAOYSA-N |