methyl (5-{2-[(3-methylbutyl)amino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (5-{2-[(3-methylbutyl)amino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
methyl (5-{2-[(3-methylbutyl)amino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0074 |
| Compound Name: | methyl (5-{2-[(3-methylbutyl)amino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C19 H25 N3 O4 |
| Smiles: | CC(C)CCNC(CN1C(C=C(CC(=O)OC)Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8638 |
| logD: | 1.5023 |
| logSw: | -2.5788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.74 |
| InChI Key: | LMZBQBRRWANRLF-UHFFFAOYSA-N |