8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0807 |
| Compound Name: | 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-10-[(4-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 567.68 |
| Molecular Formula: | C33 H30 F N3 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2585 |
| logD: | 5.2585 |
| logSw: | -5.0056 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.392 |
| InChI Key: | LORBMMPMXUAUDA-UHFFFAOYSA-N |