6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Chemical Structure Depiction of
6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one
Compound characteristics
| Compound ID: | F429-0115 |
| Compound Name: | 6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dimethyl[1,2]oxazolo[3,4-d]pyridazin-7(6H)-one |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C22 H25 N5 O5 |
| Smiles: | CC1c2c(C(N(CCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)N=1)=O)noc2C |
| Stereo: | ACHIRAL |
| logP: | 0.8193 |
| logD: | 0.475 |
| logSw: | -1.7752 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.989 |
| InChI Key: | YDYRRVNBJSGXAY-UHFFFAOYSA-N |