5-{[(4-bromophenyl)carbamoyl]imino}-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of
5-{[(4-bromophenyl)carbamoyl]imino}-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
5-{[(4-bromophenyl)carbamoyl]imino}-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Compound characteristics
| Compound ID: | 3772-8285 |
| Compound Name: | 5-{[(4-bromophenyl)carbamoyl]imino}-3-(1-phenylpropan-2-yl)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide |
| Molecular Weight: | 401.26 |
| Molecular Formula: | C18 H17 Br N4 O2 |
| Smiles: | CC(Cc1ccccc1)[N+]1[C-]\C(=N/C(Nc2ccc(cc2)[Br])=O)ON=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7507 |
| logD: | 3.7416 |
| logSw: | -4.0636 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.759 |
| InChI Key: | VXDCMYJZXOFXMN-ZDUSSCGKSA-N |