1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8013-1074 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C24 H18 N4 O S2 |
| Smiles: | C1Cc2ccccc2N(C(CSc2nnc3n2c2ccccc2s3)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 5.5329 |
| logD: | 5.5328 |
| logSw: | -5.7222 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.013 |
| InChI Key: | QPESYKQPZKRRFM-UHFFFAOYSA-N |