N-[(2,3-dimethoxyphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
N-[(2,3-dimethoxyphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G681-0067 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | COc1cccc(CNC(CSC2CC(c3ccccc3)=Nc3ccccc3N=2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3918 |
| logD: | 4.3772 |
| logSw: | -4.3501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.008 |
| InChI Key: | DZUNWAQACBCIOU-UHFFFAOYSA-N |