10-[(2,5-dimethylphenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(2,5-dimethylphenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0961 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-[4-(2-fluorophenyl)piperazine-1-carbonyl]-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(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCN(CC2)c2ccccc2F)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.296 |
| logD: | 5.296 |
| logSw: | -5.2024 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.392 |
| InChI Key: | HLHUOSXCFLLRNT-UHFFFAOYSA-N |