methyl {4-oxo-5-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-oxo-5-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-oxo-5-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0044 |
| Compound Name: | methyl {4-oxo-5-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 455.47 |
| Molecular Formula: | C23 H25 N3 O7 |
| Smiles: | COC(CC1=CC(N(CC(Nc2cc(c(c(c2)OC)OC)OC)=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.799 |
| logD: | 1.4375 |
| logSw: | -2.6079 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.282 |
| InChI Key: | OZRMDRUSAPJKIN-UHFFFAOYSA-N |