ethyl 4-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-3427 |
| Compound Name: | ethyl 4-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C24 H20 N4 O3 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(c3nc4ccccc4n13)SC(N2c1ccccc1C)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6736 |
| logD: | 4.6736 |
| logSw: | -4.4222 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 55.536 |
| InChI Key: | DXQNPYHEBULDBY-UHFFFAOYSA-N |