1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-methyl-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-methyl-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-methyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6173-0391 |
| Compound Name: | 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(4-methyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 399.55 |
| Molecular Formula: | C19 H17 N3 O S3 |
| Smiles: | CN1C(=S)SC(=N1)SCC(N1c2ccccc2CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1345 |
| logD: | 5.1345 |
| logSw: | -4.9946 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 29.2644 |
| InChI Key: | VCNCLXGVQJSTTM-UHFFFAOYSA-N |