N-(4-bromo-2-fluorophenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-(4-bromo-2-fluorophenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G281-1612 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-4-methyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 474.39 |
| Molecular Formula: | C22 H21 Br F N3 O S |
| Smiles: | CC1c2cccn2c2c(CN1C(Nc1ccc(cc1F)[Br])=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4566 |
| logD: | 6.4565 |
| logSw: | -5.5478 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.108 |
| InChI Key: | JZGVOKPSCKSYOA-ZDUSSCGKSA-N |