2-[(3-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(3-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
2-[(3-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3288-0568 |
| Compound Name: | 2-[(3-{[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C29 H22 N4 O2 S |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0878 |
| logD: | 4.4151 |
| logSw: | -4.8489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.017 |
| InChI Key: | MCRPSUMBNYFEKH-UHFFFAOYSA-N |