[3-(2H-1,3-benzodioxol-5-yl)-6-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]{4-[(4-chlorophenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[3-(2H-1,3-benzodioxol-5-yl)-6-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]{4-[(4-chlorophenyl)methyl]piperazin-1-yl}methanone
[3-(2H-1,3-benzodioxol-5-yl)-6-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]{4-[(4-chlorophenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | Y501-2691 |
| Compound Name: | [3-(2H-1,3-benzodioxol-5-yl)-6-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]{4-[(4-chlorophenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 490.95 |
| Molecular Formula: | C26 H23 Cl N4 O4 |
| Smiles: | Cc1cc(C(N2CCN(CC2)Cc2ccc(cc2)[Cl])=O)c2c(c3ccc4c(c3)OCO4)noc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1466 |
| logD: | 4.1422 |
| logSw: | -4.4579 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.066 |
| InChI Key: | ZSBMRLUVBDEVSN-UHFFFAOYSA-N |