10-[(2,5-dimethylphenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2,5-dimethylphenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
Compound ID: | C530-1356 |
Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
Molecular Weight: | 595.72 |
Molecular Formula: | C34 H33 N3 O5 S |
Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCN(CC2)c2ccc(cc2)OC)=O)(=O)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 5.3511 |
logD: | 5.351 |
logSw: | -5.2709 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 71.833 |
InChI Key: | KTLZASMKGIMIKF-UHFFFAOYSA-N |