2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-6596 |
| Compound Name: | 2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1CC(c2cccc(c2)OC)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2243 |
| logD: | 5.2235 |
| logSw: | -5.0588 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.487 |
| InChI Key: | MMRLKBYXAHSWKQ-UHFFFAOYSA-N |