10-[(4-methylphenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-methylphenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-methylphenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7398 |
| Compound Name: | 10-[(4-methylphenyl)methyl]-11-oxo-N-[(oxolan-2-yl)methyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C27 H26 N2 O3 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(NCC2CCCO2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8182 |
| logD: | 4.8182 |
| logSw: | -4.4674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.468 |
| InChI Key: | ZJABVIJTVRXIAS-OAQYLSRUSA-N |