ethyl 4-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
ethyl 4-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
Compound characteristics
| Compound ID: | E514-0138 |
| Compound Name: | ethyl 4-{2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)Sc1c2cc3c(cco3)n2cnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9178 |
| logD: | 3.917 |
| logSw: | -4.0258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.513 |
| InChI Key: | KPRQZTSBZGGIOK-SFHVURJKSA-N |