N-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine
Chemical Structure Depiction of
N-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine
N-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine
Compound characteristics
| Compound ID: | 8016-9290 |
| Compound Name: | N-[(6-bromo-2H-1,3-benzodioxol-5-yl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine |
| Molecular Weight: | 414.26 |
| Molecular Formula: | C19 H16 Br N3 O3 |
| Smiles: | CC1C(C(C)=Nc2ccccc2N=1)=NOCc1cc2c(cc1[Br])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.4673 |
| logD: | 4.4672 |
| logSw: | -4.3813 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.376 |
| InChI Key: | BZJIPJXAFLUVOK-UHFFFAOYSA-N |