10-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0359 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 528.6 |
| Molecular Formula: | C30 H25 F N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(Nc2ccc(cc2C)F)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.832 |
| logD: | 5.8271 |
| logSw: | -5.4377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.774 |
| InChI Key: | IMWDBEJJBLYIJL-UHFFFAOYSA-N |