methyl (4-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0180 |
| Compound Name: | methyl (4-{[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H22 F N3 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3317 |
| logD: | 4.3315 |
| logSw: | -4.3078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.117 |
| InChI Key: | HWJXRONETVXYPU-IBGZPJMESA-N |