N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1563 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C28 H29 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSC1CC(c2ccc(cc2)OC)=Nc2cc(C)c(C)cc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6509 |
| logD: | 5.645 |
| logSw: | -5.3795 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | XLJSOMFLLFWLRZ-UHFFFAOYSA-N |