methyl {5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0023 |
| Compound Name: | methyl {5-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C22 H23 N3 O6 |
| Smiles: | COC(CC1=CC(N(CC(Nc2ccc(c(c2)OC)OC)=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9533 |
| logD: | 1.5918 |
| logSw: | -2.7963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.565 |
| InChI Key: | ZTPMDXGNNDDYSV-UHFFFAOYSA-N |