1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4582-0108 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C24 H19 N3 O S3 |
| Smiles: | C1Cc2ccccc2N(C(CSC2=NN(C(=S)S2)c2ccccc2)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.5413 |
| logD: | 6.5412 |
| logSw: | -6.0105 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 27.8946 |
| InChI Key: | PJFPGRRZNLJUDC-UHFFFAOYSA-N |