ethyl 4-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
ethyl 4-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
Compound characteristics
| Compound ID: | E513-0138 |
| Compound Name: | ethyl 4-{2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)Sc1c2cc3c(ccs3)n2cnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5421 |
| logD: | 4.5412 |
| logSw: | -4.2721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.06 |
| InChI Key: | QXNDBKYQEBDTGQ-KRWDZBQOSA-N |