ethyl 2-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | E514-0074 |
| Compound Name: | ethyl 2-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c2cc3c(cco3)n2cnn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6069 |
| logD: | 2.5898 |
| logSw: | -3.2444 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.602 |
| InChI Key: | KBXRSOUWOURAIV-UHFFFAOYSA-N |