2-(2-bromophenyl)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-bromophenyl)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-1,3-oxazol-5(4H)-one
2-(2-bromophenyl)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2113-0049 |
| Compound Name: | 2-(2-bromophenyl)-4-{[4-(4-nitrophenyl)piperazin-1-yl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 457.28 |
| Molecular Formula: | C20 H17 Br N4 O4 |
| Smiles: | C1CN(CCN1/C=C1/C(=O)OC(c2ccccc2[Br])=N1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.923 |
| logD: | 2.923 |
| logSw: | -3.6408 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.632 |
| InChI Key: | WJFIBAPTEFZKCM-UHFFFAOYSA-N |