3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione
Chemical Structure Depiction of
3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione
3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione
Compound characteristics
| Compound ID: | K286-3518 |
| Compound Name: | 3-(2-methylphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C25 H17 N5 O2 S3 |
| Smiles: | Cc1ccccc1N1C2=C(c3nc4ccccc4n3C(=N2)SCc2cccc(c2)[N+]([O-])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.3395 |
| logD: | 6.3392 |
| logSw: | -5.6713 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 55.732 |
| InChI Key: | YLIGRTIPABBUGW-UHFFFAOYSA-N |