2-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
2-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K297-0816 |
| Compound Name: | 2-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one |
| Molecular Weight: | 508.39 |
| Molecular Formula: | C24 H18 Br N3 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c2ccccc2nc(n1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8727 |
| logD: | 5.8724 |
| logSw: | -6.2556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.212 |
| InChI Key: | DKVBRVWIPJEULK-UHFFFAOYSA-N |