3-({[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-({[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetyl)-2H-1-benzopyran-2-one
3-({[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K286-0413 |
| Compound Name: | 3-({[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 582.68 |
| Molecular Formula: | C29 H18 N4 O4 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(C2=Cc3ccccc3OC2=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.6221 |
| logD: | 5.6221 |
| logSw: | -5.4703 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 64.363 |
| InChI Key: | JSDYZAHZZLCBTI-UHFFFAOYSA-N |