2-[(3-{[1-(4-butylphenyl)-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-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
2-[(3-{[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 4490-1238 |
| Compound Name: | 2-[(3-{[1-(4-butylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile |
| Molecular Weight: | 518.64 |
| Molecular Formula: | C31 H26 N4 O2 S |
| Smiles: | CCCCc1ccc(cc1)N1C(C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1263 |
| logD: | 5.4537 |
| logSw: | -5.5362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.017 |
| InChI Key: | ZZGKMFCXVONBSK-UHFFFAOYSA-N |