1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | 5750-1866 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylethan-1-one |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C31 H26 N2 O2 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SC(C(N1c2ccccc2CCc2ccccc12)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.6731 |
| logD: | 8.6731 |
| logSw: | -5.6876 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.1343 |
| InChI Key: | CQPXFWADFYRLGX-GDLZYMKVSA-N |