1-(2H-1,3-benzodioxol-5-yl)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(2H-1,3-benzodioxol-5-yl)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3699-0999 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-{[4-bromo-5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 490.27 |
| Molecular Formula: | C20 H16 Br N3 O7 |
| Smiles: | C1COCCN1c1c(cc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)o1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0764 |
| logD: | 1.8935 |
| logSw: | -3.0269 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.248 |
| InChI Key: | QRYPUIFXYWSUEW-UHFFFAOYSA-N |