4-(pentafluoroethyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
4-(pentafluoroethyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
4-(pentafluoroethyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | Y502-1166 |
| Compound Name: | 4-(pentafluoroethyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 278.18 |
| Molecular Formula: | C11 H7 F5 N2 O |
| Smiles: | C1C(C(C(F)(F)F)(F)F)=Nc2ccccc2NC1=O |
| Stereo: | ACHIRAL |
| logP: | 2.2554 |
| logD: | 2.2553 |
| logSw: | -2.8313 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.302 |
| InChI Key: | UADWSUNHERIFQR-UHFFFAOYSA-N |