1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | E015-0043 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butane-1,4-dione |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | C(CC(N1CCOc2ccc(cc12)[Cl])=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4571 |
| logD: | 2.1129 |
| logSw: | -3.1082 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.023 |
| InChI Key: | WTPRQKMEBXWWEZ-UHFFFAOYSA-N |