{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(2,4-difluorophenyl)methanone
Chemical Structure Depiction of
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(2,4-difluorophenyl)methanone
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(2,4-difluorophenyl)methanone
Compound characteristics
| Compound ID: | T599-1621 |
| Compound Name: | {5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(2,4-difluorophenyl)methanone |
| Molecular Weight: | 422.43 |
| Molecular Formula: | C24 H20 F2 N2 O3 |
| Smiles: | C1CN(Cc2ccc3c(c2)OCO3)c2ccccc2N(C1)C(c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9629 |
| logD: | 4.9629 |
| logSw: | -4.7789 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.64 |
| InChI Key: | PXPMRFOGPNHAAF-UHFFFAOYSA-N |