2-{[3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{[3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K286-0445 |
| Compound Name: | 2-{[3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 652.21 |
| Molecular Formula: | C30 H26 Cl N5 O4 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(c3nc4ccccc4n3C(=N2)SCC(NCCc2ccc(c(c2)OC)OC)=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8816 |
| logD: | 4.8805 |
| logSw: | -4.8156 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.554 |
| InChI Key: | LMNDGDJQSAJGLA-UHFFFAOYSA-N |