1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y021-0622 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C22 H21 N3 O S |
| Smiles: | Cc1cc(C)nc(n1)SCC(N1c2ccccc2CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6923 |
| logD: | 4.6923 |
| logSw: | -4.4274 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.5794 |
| InChI Key: | KWPOBBVBZLOJAV-UHFFFAOYSA-N |