ethyl (4-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0930 |
| Compound Name: | ethyl (4-{[(3-fluoro-4-methoxyphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C21 H21 F N2 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCc1ccc(c(c1)F)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3392 |
| logD: | 4.3392 |
| logSw: | -4.2777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.965 |
| InChI Key: | JCJXMOKOOARKKM-UHFFFAOYSA-N |