N-(2H-1,3-benzodioxol-5-yl)-2-[1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]acetamide
Compound characteristics
| Compound ID: | Y020-8255 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[1-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}acetyl)-3-oxopiperazin-2-yl]acetamide |
| Molecular Weight: | 537.57 |
| Molecular Formula: | C27 H31 N5 O7 |
| Smiles: | C(C1C(NCCN1C(CN1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5738 |
| logD: | -0.2579 |
| logSw: | -2.1133 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.563 |
| InChI Key: | TUAUFWCBGVMGEW-FQEVSTJZSA-N |