6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Chemical Structure Depiction of
6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Compound characteristics
| Compound ID: | F489-0057 |
| Compound Name: | 6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C22 H26 Cl N5 O3 |
| Smiles: | CC1c2c(C(N(CCCC(N3CCN(CC3)c3cc(ccc3C)[Cl])=O)N=1)=O)noc2C |
| Stereo: | ACHIRAL |
| logP: | 2.5683 |
| logD: | 2.5682 |
| logSw: | -3.3922 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.293 |
| InChI Key: | RIGOFSINYNRHDG-UHFFFAOYSA-N |