7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-pentylquinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-pentylquinazoline-2,4(1H,3H)-dione
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-pentylquinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C190-0064 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-pentylquinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C26 H30 N4 O5 |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5372 |
| logD: | 3.3453 |
| logSw: | -3.542 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.035 |
| InChI Key: | CIEDGRWWCWXCMK-UHFFFAOYSA-N |