10-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0863 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 512.6 |
| Molecular Formula: | C30 H25 F N2 O3 S |
| Smiles: | Cc1ccc(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2)F)C(c2ccccc2S3=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4911 |
| logD: | 4.4911 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.04 |
| InChI Key: | XDWZBTHDACCPHS-UHFFFAOYSA-N |