8-[4-(4-fluorophenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-[4-(4-fluorophenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-[4-(4-fluorophenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
Compound ID: | C791-0101 |
Compound Name: | 8-[4-(4-fluorophenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
Molecular Weight: | 433.5 |
Molecular Formula: | C24 H20 F N3 O2 S |
Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O)c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 4.1829 |
logD: | 4.1828 |
logSw: | -4.2411 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.084 |
InChI Key: | DGHCPUYFJZXEIH-UHFFFAOYSA-N |