3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-bromophenyl)pyrazin-2(1H)-one
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-bromophenyl)pyrazin-2(1H)-one
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-bromophenyl)pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G194-0568 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(4-bromophenyl)pyrazin-2(1H)-one |
| Molecular Weight: | 400.23 |
| Molecular Formula: | C18 H14 Br N3 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC1C(N(C=CN=1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4098 |
| logD: | 2.4098 |
| logSw: | -2.8828 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.417 |
| InChI Key: | LSSCKTCFYGDLOP-UHFFFAOYSA-N |