(3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
Chemical Structure Depiction of
(3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
(3-{[1-(3-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
Compound characteristics
| Compound ID: | 4281-2651 |
| Compound Name: | (3-{[1-(3-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)c2cccc(c2)F)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.0167 |
| logD: | 0.6237 |
| logSw: | -2.8324 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.865 |
| InChI Key: | BKPJDYYSPWBLRU-UHFFFAOYSA-N |