N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D692-0562 |
| Compound Name: | N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C22 H16 N6 O2 S2 |
| Smiles: | Cc1c(C#N)c(NC(CSc2nnc3c4ccccc4nc(c4ccco4)n23)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.9815 |
| logD: | 2.9112 |
| logSw: | -4.2946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.888 |
| InChI Key: | KYXCSOBVLNRYTN-UHFFFAOYSA-N |