ethyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0264 |
| Compound Name: | ethyl (4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.158 |
| logD: | 3.1578 |
| logSw: | -3.5179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.462 |
| InChI Key: | KJPWJVVIRMSJNX-UHFFFAOYSA-N |