N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0848 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 558.63 |
| Molecular Formula: | C31 H27 F N2 O5 S |
| Smiles: | COc1ccc(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2)F)C(c2ccccc2S3=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5848 |
| logD: | 3.5848 |
| logSw: | -3.9167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.3 |
| InChI Key: | URRJFKQSELHXSJ-UHFFFAOYSA-N |