10-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8629 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 591.08 |
| Molecular Formula: | C31 H27 Cl N2 O6 S |
| Smiles: | COc1ccc(CCNC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3(=O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3408 |
| logD: | 4.3408 |
| logSw: | -4.4883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.896 |
| InChI Key: | AJEKHYHOBVXCJO-UHFFFAOYSA-N |