10-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-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-(3-methylbutyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0729 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C26 H25 F N2 O3 S |
| Smiles: | CC(C)CCNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.272 |
| logD: | 4.272 |
| logSw: | -4.2058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.311 |
| InChI Key: | OVCANRSJULPYCA-UHFFFAOYSA-N |