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-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K286-0443 |
| 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-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 624.16 |
| Molecular Formula: | C28 H22 Cl N5 O4 S3 |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1=NC2=C(c3nc4ccccc4n13)SC(N2c1cc(ccc1OC)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6537 |
| logD: | 5.6535 |
| logSw: | -5.8797 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.606 |
| InChI Key: | MEHYOCYSQCFANK-UHFFFAOYSA-N |