N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0149 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(NCc1cccc(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9203 |
| logD: | 4.9056 |
| logSw: | -4.6848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.008 |
| InChI Key: | VGFKYRXOFYHNTA-UHFFFAOYSA-N |