10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C530-1260 |
Compound Name: | 10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 535.59 |
Molecular Formula: | C28 H26 F N3 O5 S |
Smiles: | C1CC(N(C1)CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.0876 |
logD: | 2.0876 |
logSw: | -3.1914 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 86.148 |
InChI Key: | VNCJQQSZSVDLNL-UHFFFAOYSA-N |