3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-chloroquinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-chloroquinazoline-2,4(1H,3H)-dione
3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-chloroquinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C260-2308 |
| Compound Name: | 3-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-chloroquinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 484.94 |
| Molecular Formula: | C24 H25 Cl N4 O5 |
| Smiles: | C(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)CN1C(c2ccc(cc2NC1=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3701 |
| logD: | 2.0258 |
| logSw: | -3.5682 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.507 |
| InChI Key: | QSBSYWUVEJJJBV-UHFFFAOYSA-N |