methyl (5-{2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (5-{2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
methyl (5-{2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0017 |
| Compound Name: | methyl (5-{2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C25 H30 N4 O4 |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CN1C(C=C(CC(=O)OC)Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1956 |
| logD: | 2.8341 |
| logSw: | -3.3962 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.343 |
| InChI Key: | KJIDKBDATJQKHA-UHFFFAOYSA-N |