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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K286-0444 |
| 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-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 594.13 |
| Molecular Formula: | C27 H20 Cl N5 O3 S3 |
| Smiles: | COc1cccc(c1)NC(CSC1=NC2=C(c3nc4ccccc4n13)SC(N2c1cc(ccc1OC)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9749 |
| logD: | 5.9748 |
| logSw: | -6.0298 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.674 |
| InChI Key: | UAXCUNDSTVWZCW-UHFFFAOYSA-N |