(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
Chemical Structure Depiction of
(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
(3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
Compound characteristics
| Compound ID: | 4760-0398 |
| Compound Name: | (3-{[1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C23 H18 N4 O3 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2cn(CC#N)c3ccccc23)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9765 |
| logD: | 2.9355 |
| logSw: | -3.1759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.865 |
| InChI Key: | FAPGHHDNEAPLKI-UHFFFAOYSA-N |