ethyl (7,8-dimethyl-4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (7,8-dimethyl-4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (7,8-dimethyl-4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0713 |
| Compound Name: | ethyl (7,8-dimethyl-4-{[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C26 H31 N3 O6 S |
| Smiles: | CCOC(CC1=CC(=Nc2cc(C)c(C)cc2N1)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0898 |
| logD: | 4.0895 |
| logSw: | -4.2227 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.462 |
| InChI Key: | BFVHPMPAJUUJEX-UHFFFAOYSA-N |