methyl (4-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0117 |
| Compound Name: | methyl (4-{[(4-methylphenyl)methyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C20 H20 N2 O2 S |
| Smiles: | Cc1ccc(CSC2C=C(CC(=O)OC)Nc3ccccc3N=2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0728 |
| logD: | 4.0728 |
| logSw: | -4.1885 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.755 |
| InChI Key: | XEGNATJGNVNKEQ-UHFFFAOYSA-N |