methyl (7,8-dimethyl-4-oxo-5-{2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (7,8-dimethyl-4-oxo-5-{2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
methyl (7,8-dimethyl-4-oxo-5-{2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0538 |
| Compound Name: | methyl (7,8-dimethyl-4-oxo-5-{2-oxo-2-[(4-phenylbutan-2-yl)amino]ethyl}-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CC(CCc1ccccc1)NC(CN1C(C=C(CC(=O)OC)Nc2cc(C)c(C)cc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9028 |
| logD: | 3.5742 |
| logSw: | -4.1241 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.068 |
| InChI Key: | KIWNYJOWZQGACT-IBGZPJMESA-N |