2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide
Compound characteristics
| Compound ID: | K286-3621 |
| Compound Name: | 2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-(5-methyl-1H-pyrazol-3-yl)acetamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C24 H19 N7 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(c3nc4ccccc4n3C(=N2)SCC(Nc2cc(C)[nH]n2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.8476 |
| logD: | 4.8456 |
| logSw: | -4.5509 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.634 |
| InChI Key: | LCWBUZGJGRMLSH-UHFFFAOYSA-N |