ethyl (4-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0246 |
| Compound Name: | ethyl (4-{[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1cc(cc(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9166 |
| logD: | 3.9164 |
| logSw: | -4.0087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.571 |
| InChI Key: | JZOYTKGXHBXGIS-UHFFFAOYSA-N |