N-[4-(cyanomethyl)phenyl]-2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide
N-[4-(cyanomethyl)phenyl]-2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | D356-2639 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2-(9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl)acetamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H16 F N3 O3 S |
| Smiles: | C(C#N)c1ccc(cc1)NC(CN1c2ccc(cc2c2ccccc2S1(=O)=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3997 |
| logD: | 3.3997 |
| logSw: | -4.0245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.403 |
| InChI Key: | FWEKIMUCGIKQIX-UHFFFAOYSA-N |