N-(3-chloro-2-methylphenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(3-chloro-2-methylphenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | E513-1183 |
Compound Name: | N-(3-chloro-2-methylphenyl)-2-[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
Molecular Weight: | 430.98 |
Molecular Formula: | C20 H19 Cl N4 O S2 |
Smiles: | CCc1nnc(c2cc3c(cc(C)s3)n12)SCC(Nc1cccc(c1C)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.1385 |
logD: | 5.1356 |
logSw: | -5.5938 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.765 |
InChI Key: | VOZLJRMBSVAZJS-UHFFFAOYSA-N |