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 |