N-butyl-10-[(2-fluorophenyl)methyl]-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-butyl-10-[(2-fluorophenyl)methyl]-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-butyl-10-[(2-fluorophenyl)methyl]-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0689 |
| Compound Name: | N-butyl-10-[(2-fluorophenyl)methyl]-N-methyl-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: | CCCCN(C)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7192 |
| logD: | 3.7192 |
| logSw: | -3.8537 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.185 |
| InChI Key: | PVUUEXPAXVOPHP-UHFFFAOYSA-N |