3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]quinazolin-4(3H)-one
3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2869 |
| Compound Name: | 3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C28 H32 N4 O4 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1C=Nc2ccccc2C1=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0489 |
| logD: | 2.5805 |
| logSw: | -3.5898 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.835 |
| InChI Key: | RVRYBMKSLZBNPY-UHFFFAOYSA-N |