N-[2-(4-chlorophenyl)ethyl]-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-chlorophenyl)ethyl]-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1371 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 559.08 |
| Molecular Formula: | C31 H27 Cl N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCc2ccc(cc2)[Cl])=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.809 |
| logD: | 5.809 |
| logSw: | -5.8071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.636 |
| InChI Key: | PYFQPEBGAXHDBN-UHFFFAOYSA-N |