ethyl (4-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0252 |
| Compound Name: | ethyl (4-{[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 431.46 |
| Molecular Formula: | C21 H19 F2 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6934 |
| logD: | 3.6876 |
| logSw: | -3.955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.786 |
| InChI Key: | PDYNHPQJVWARFY-UHFFFAOYSA-N |