{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(2-chlorophenyl)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-chlorophenyl)methanone
{5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(2-chlorophenyl)methanone
Compound characteristics
| Compound ID: | T599-1801 |
| Compound Name: | {5-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}(2-chlorophenyl)methanone |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C24 H21 Cl N2 O3 |
| Smiles: | C1CN(Cc2ccc3c(c2)OCO3)c2ccccc2N(C1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.92 |
| logD: | 4.92 |
| logSw: | -4.9133 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.64 |
| InChI Key: | RPQQHHBWXMLVAW-UHFFFAOYSA-N |