ethyl (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
ethyl (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
ethyl (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: | F404-0346 |
| Compound Name: | ethyl (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: | 451.48 |
| Molecular Formula: | C24 H25 N3 O6 |
| Smiles: | CCOC(CC1=CC(N(CC(Nc2ccc3c(c2)OCO3)=O)c2cc(C)c(C)cc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6598 |
| logD: | 3.3312 |
| logSw: | -3.9112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88 |
| InChI Key: | PMDGOKPJOZOEQP-UHFFFAOYSA-N |