ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G281-1513 |
| Compound Name: | ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]benzoate |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | CCC1c2cccn2c2c(CN1C(Nc1ccccc1C(=O)OCC)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6792 |
| logD: | 6.6789 |
| logSw: | -5.6722 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.223 |
| InChI Key: | ZGGLLQCNYWSHLE-OAQYLSRUSA-N |