N-cyclohexyl-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-methylacetamide
Chemical Structure Depiction of
N-cyclohexyl-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-methylacetamide
N-cyclohexyl-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-methylacetamide
Compound characteristics
Compound ID: | E513-1099 |
Compound Name: | N-cyclohexyl-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N-methylacetamide |
Molecular Weight: | 402.58 |
Molecular Formula: | C20 H26 N4 O S2 |
Smiles: | CCc1nnc(c2cc3c(cc(C)s3)n12)SCC(N(C)C1CCCCC1)=O |
Stereo: | ACHIRAL |
logP: | 4.4356 |
logD: | 4.433 |
logSw: | -4.2481 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 37.26 |
InChI Key: | MNMSPEDUIUBXJH-UHFFFAOYSA-N |