N-benzyl-2-{[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-0407 |
| Compound Name: | N-benzyl-2-{[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C27 H21 N5 O2 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(NCc2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2924 |
| logD: | 5.292 |
| logSw: | -5.3068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.666 |
| InChI Key: | PAJIPYQTPWGXLS-UHFFFAOYSA-N |