5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | 3657-1096 |
Compound Name: | 5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 311.29 |
Molecular Formula: | C16 H13 N3 O4 |
Smiles: | COc1ccc(cc1)n1cccc1C=C1C(NC(NC1=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.6743 |
logD: | 1.3756 |
logSw: | -2.0419 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.716 |
InChI Key: | XOHVNYFISKFUTH-UHFFFAOYSA-N |