1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4724-6036 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 413.39 |
| Molecular Formula: | C23 H15 N3 O5 |
| Smiles: | C#CCn1cc(/C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.7938 |
| logD: | 2.422 |
| logSw: | -3.2368 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.488 |
| InChI Key: | MJUBGBHUWFIUKR-UHFFFAOYSA-N |