ethyl 2-{2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E514-0542 |
| Compound Name: | ethyl 2-{2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c2cc3c(cc(C)o3)n2c(C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2999 |
| logD: | 3.2813 |
| logSw: | -3.6042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.287 |
| InChI Key: | SUFDIIKHXLCMGC-UHFFFAOYSA-N |