ethyl (4-{[(3-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[(3-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[(3-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0341 |
| Compound Name: | ethyl (4-{[(3-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0261 |
| logD: | 5.0261 |
| logSw: | -4.6249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.334 |
| InChI Key: | ITEJIOGFTIGPKK-UHFFFAOYSA-N |