methyl (4-{[1-(2,5-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[1-(2,5-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[1-(2,5-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0203 |
| Compound Name: | methyl (4-{[1-(2,5-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C22 H21 F2 N3 O3 S |
| Smiles: | CCC(C(Nc1cc(ccc1F)F)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7685 |
| logD: | 4.7492 |
| logSw: | -4.4787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.42 |
| InChI Key: | GQBQGGKLEOGAFN-IBGZPJMESA-N |