5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C370-0461 |
| Compound Name: | 5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 356.29 |
| Molecular Formula: | C16 H12 N4 O6 |
| Smiles: | COc1cc(ccc1n1cccc1C=C1C(NC(NC1=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7648 |
| logD: | 1.466 |
| logSw: | -2.3473 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.884 |
| InChI Key: | GAIHZLJRFIYFPP-UHFFFAOYSA-N |