3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C191-0065 |
| Compound Name: | 3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 496.52 |
| Molecular Formula: | C25 H28 N4 O7 |
| Smiles: | COc1cc2C(N(CCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(Nc2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4495 |
| logD: | 1.1053 |
| logSw: | -2.4291 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.768 |
| InChI Key: | PCZSFDVUNYTLEZ-UHFFFAOYSA-N |