2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-6595 |
| Compound Name: | 2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C27 H27 N3 O5 S |
| Smiles: | COc1cccc(c1)C1CC(=Nc2ccccc2N=1)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0916 |
| logD: | 4.0904 |
| logSw: | -4.3314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.861 |
| InChI Key: | YJOBNHMNPBESFQ-UHFFFAOYSA-N |