8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0938 |
| Compound Name: | 8-[4-(3-chlorophenyl)piperazine-1-carbonyl]-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 584.14 |
| Molecular Formula: | C33 H30 Cl N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCN(CC2)c2cccc(c2)[Cl])=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7011 |
| logD: | 5.7011 |
| logSw: | -5.73 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.693 |
| InChI Key: | IJZPDYMNZPBPKQ-UHFFFAOYSA-N |