{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-fluorophenyl)methanone
Chemical Structure Depiction of
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-fluorophenyl)methanone
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | T599-1561 |
| Compound Name: | {5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(4-fluorophenyl)methanone |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C24 H21 F N2 O3 |
| Smiles: | C1CN(Cc2ccc3c(c2)OCO3)c2ccccc2N(C1)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4891 |
| logD: | 4.4891 |
| logSw: | -4.3761 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.64 |
| InChI Key: | FVBMYNXREOKPEO-UHFFFAOYSA-N |