8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K788-3240 |
| Compound Name: | 8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 551.68 |
| Molecular Formula: | C33 H30 F N3 O2 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0746 |
| logD: | 7.0746 |
| logSw: | -5.6143 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.008 |
| InChI Key: | JLBFFMNOBPRKIB-UHFFFAOYSA-N |