(3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
Chemical Structure Depiction of
(3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
(3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
Compound characteristics
| Compound ID: | 4763-1068 |
| Compound Name: | (3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile |
| Molecular Weight: | 388.36 |
| Molecular Formula: | C21 H13 F N4 O3 |
| Smiles: | C(C#N)n1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.9703 |
| logD: | 1.399 |
| logSw: | -2.529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.865 |
| InChI Key: | IWAXQMUCRXVECD-UHFFFAOYSA-N |