ethyl (4-{[1-(2,4-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(2,4-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-(2,4-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0448 |
| Compound Name: | ethyl (4-{[1-(2,4-difluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C23 H23 F2 N3 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1F)F)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9697 |
| logD: | 4.9537 |
| logSw: | -4.5196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64 |
| InChI Key: | WNRGPGPPPIJHTE-FQEVSTJZSA-N |