methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0645 |
| Compound Name: | methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C26 H23 N5 O5 |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)N1CCN(CC1)c1ccccn1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5304 |
| logD: | 3.5215 |
| logSw: | -3.6635 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.272 |
| InChI Key: | IOSRRDXBSFHNIT-UHFFFAOYSA-N |