methyl {4-oxo-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-oxo-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-oxo-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0015 |
| Compound Name: | methyl {4-oxo-5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CN1C(C=C(CC(=O)OC)Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9317 |
| logD: | 2.5702 |
| logSw: | -3.1233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.909 |
| InChI Key: | JPWKILWVXLFSOF-UHFFFAOYSA-N |