2-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
2-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}-N-(prop-2-en-1-yl)benzamide
2-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}-N-(prop-2-en-1-yl)benzamide
Compound characteristics
Compound ID: | D289-0462 |
Compound Name: | 2-{2-[5,5-dioxo-9-(propan-2-yl)-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamido}-N-(prop-2-en-1-yl)benzamide |
Molecular Weight: | 489.59 |
Molecular Formula: | C27 H27 N3 O4 S |
Smiles: | CC(C)c1ccc2c(c1)c1ccccc1S(N2CC(Nc1ccccc1C(NCC=C)=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5807 |
logD: | 4.5804 |
logSw: | -4.3435 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.74 |
InChI Key: | KXWYQWIUWPCHHW-UHFFFAOYSA-N |