ethyl (4-{[(3-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[(3-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[(3-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0346 |
| Compound Name: | ethyl (4-{[(3-chlorophenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 386.9 |
| Molecular Formula: | C20 H19 Cl N2 O2 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.035 |
| logD: | 5.035 |
| logSw: | -4.9682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.334 |
| InChI Key: | FTTCHTCVHNVRBG-UHFFFAOYSA-N |