methyl (4-{[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0210 |
| Compound Name: | methyl (4-{[1-(4-fluoroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C21 H20 F N3 O3 S |
| Smiles: | CC(C(Nc1ccc(cc1)F)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8146 |
| logD: | 3.8145 |
| logSw: | -4.0921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.117 |
| InChI Key: | KSAJSSSPAGRRBI-ZDUSSCGKSA-N |