1-[(4-bromo-2-fluorophenyl)methyl]-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
Chemical Structure Depiction of
1-[(4-bromo-2-fluorophenyl)methyl]-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
1-[(4-bromo-2-fluorophenyl)methyl]-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one
Compound characteristics
| Compound ID: | C798-0550 |
| Compound Name: | 1-[(4-bromo-2-fluorophenyl)methyl]-5-phenyl-1,3,6,7,8,9-hexahydro-2H-[1]benzothieno[2,3-e][1,4]diazepin-2-one |
| Molecular Weight: | 483.4 |
| Molecular Formula: | C24 H20 Br F N2 O S |
| Smiles: | C1CCc2c(C1)c1C(c3ccccc3)=NCC(N(Cc3ccc(cc3F)[Br])c1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.136 |
| logD: | 6.136 |
| logSw: | -5.9317 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.3138 |
| InChI Key: | CPKQSKDELCYDFD-UHFFFAOYSA-N |