{[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetonitrile
{[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | K286-0397 |
| Compound Name: | {[3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C20 H13 N5 O S3 |
| Smiles: | COc1cccc(c1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC#N)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.1996 |
| logD: | 4.1994 |
| logSw: | -4.4858 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.958 |
| InChI Key: | ZXPXRUIYJBYFAL-UHFFFAOYSA-N |