10-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0719 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C29 H23 F N2 O4 S |
| Smiles: | COc1ccc(CNC(c2ccc3c(c2)N(Cc2ccccc2F)C(c2ccccc2S3=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2279 |
| logD: | 4.2279 |
| logSw: | -4.3079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.742 |
| InChI Key: | MHULAGYXBZVELA-UHFFFAOYSA-N |