methyl (4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0125 |
| Compound Name: | methyl (4-{[(4-fluorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H17 F N2 O2 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6785 |
| logD: | 3.6784 |
| logSw: | -4.0873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.755 |
| InChI Key: | BQJUJJRUBSRJBO-UHFFFAOYSA-N |