methyl (5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
methyl (5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0497 |
| Compound Name: | methyl (5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C23 H23 N3 O6 |
| Smiles: | Cc1cc2c(cc1C)N(CC(Nc1ccc3c(c1)OCO3)=O)C(C=C(CC(=O)OC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2072 |
| logD: | 2.8786 |
| logSw: | -3.3768 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.42 |
| InChI Key: | HJZWZCISICHKEJ-UHFFFAOYSA-N |