2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G681-0830 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C26 H24 Cl N3 O3 S |
| Smiles: | COc1cccc(CNC(CSC2CC(c3ccc(cc3)[Cl])=Nc3ccccc3N=2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0916 |
| logD: | 5.0769 |
| logSw: | -5.4776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.008 |
| InChI Key: | CGJJBMPERMXXCQ-UHFFFAOYSA-N |