ethyl (4-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0696 |
| Compound Name: | ethyl (4-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CCOC(CC1=CC(=Nc2cc(C)c(C)cc2N1)SCC(Nc1ccccc1OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8838 |
| logD: | 4.8837 |
| logSw: | -4.5002 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.996 |
| InChI Key: | WGAKPOXFQJODRF-UHFFFAOYSA-N |