ethyl (7,8-dimethyl-4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (7,8-dimethyl-4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (7,8-dimethyl-4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0687 |
| Compound Name: | ethyl (7,8-dimethyl-4-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2cc(C)c(C)cc2N1)SCC(Nc1c(C)cc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2224 |
| logD: | 5.2224 |
| logSw: | -5.0369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.088 |
| InChI Key: | GCTZWLPAIURTBD-UHFFFAOYSA-N |