N-butyl-10-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-butyl-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0886 |
| Compound Name: | N-butyl-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 450.53 |
| Molecular Formula: | C25 H23 F N2 O3 S |
| Smiles: | CCCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9467 |
| logD: | 3.9467 |
| logSw: | -3.9504 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.311 |
| InChI Key: | DJQBRUWPHUUBLB-UHFFFAOYSA-N |