1-(4-bromophenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(4-bromophenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C370-1538 |
| Compound Name: | 1-(4-bromophenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 511.29 |
| Molecular Formula: | C22 H15 Br N4 O6 |
| Smiles: | COc1cc(ccc1n1cccc1/C=C1/C(NC(N(C1=O)c1ccc(cc1)[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1051 |
| logD: | 3.8461 |
| logSw: | -4.3887 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.631 |
| InChI Key: | UEHAQLUIBATOER-UHFFFAOYSA-N |