10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0732 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 519.59 |
| Molecular Formula: | C28 H26 F N3 O4 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0693 |
| logD: | 2.0693 |
| logSw: | -3.1781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.552 |
| InChI Key: | WVKCQJANZUQJQW-UHFFFAOYSA-N |