ethyl (4-{[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0447 |
| Compound Name: | ethyl (4-{[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C22 H21 Cl F N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SC(C)C(Nc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9699 |
| logD: | 4.9596 |
| logSw: | -5.0272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64 |
| InChI Key: | CCTBPTRYXXCITC-ZDUSSCGKSA-N |