ethyl 4-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
ethyl 4-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate
Compound characteristics
| Compound ID: | E513-0918 |
| Compound Name: | ethyl 4-{2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamido}benzoate |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C22 H22 N4 O3 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)Sc1c2cc3c(ccs3)n2c(C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6899 |
| logD: | 4.6842 |
| logSw: | -4.3515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.231 |
| InChI Key: | VFEFZAHWDUWYDP-SFHVURJKSA-N |