ethyl (4-{[(4-ethenylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[(4-ethenylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[(4-ethenylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0355 |
| Compound Name: | ethyl (4-{[(4-ethenylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCc1ccc(C=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6964 |
| logD: | 4.6964 |
| logSw: | -4.2871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.334 |
| InChI Key: | IFWZTPTUZUZEPK-UHFFFAOYSA-N |